REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1hkw_1_A DATA FIRST_RESID 2 DATA SEQUENCE NELLHLAPNV WPRNTTRDEV GVVCIAGIPL TQLAQEYGTP LFVIDEDDFR DATA SEQUENCE SRCRETAAAF GSGANVHYAA KAFLCSEVAR WISEEGLCLD VCTGGELAVA DATA SEQUENCE LHASFPPERI TLHGNNKSVS ELTAAVKAGV GHIVVDSXTE IERLDAIAGE DATA SEQUENCE AGIVQDVLVR LTVGVEAHTH EFISTAHEDQ KFGLSVASGA AXAAVRRVFA DATA SEQUENCE TDHLRLVGLH SHIGSQIFDV DGFELAAHRV IGLLRDVVGE FGPEKTAQIA DATA SEQUENCE TVDLGGGLGI SYLPSDDPPP IAELAAKLGT IVSDESTAVG LPTPKLVVEP DATA SEQUENCE GRAIAGPGTI TLYEVGTVKD VDVSATAHRR YVSVDGGXSD NIRTALYGAQ DATA SEQUENCE YDVRLVSRVS DAPPVPARLV GKHCESGDII VRDTWVPDDI RPGDLVAVAA DATA SEQUENCE TGAYCYSLSS RYNXVGRPAV VAVHAGNARL VLRRETVDDL LSLEVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.516 175.510 0.010 0.000 1.280 2 N CA 0.000 53.054 53.050 0.007 0.000 0.885 2 N CB 0.000 38.487 38.487 0.000 0.000 1.341 3 E N 0.164 120.367 120.200 0.004 0.000 2.290 3 E HA 0.240 4.594 4.350 0.007 0.000 0.197 3 E C 0.804 177.424 176.600 0.033 0.000 0.948 3 E CA 0.267 56.664 56.400 -0.005 0.000 0.895 3 E CB 0.897 30.564 29.700 -0.056 0.000 0.865 3 E HN 0.111 nan 8.360 nan 0.000 0.486 4 L N 0.792 122.042 121.223 0.044 0.000 2.607 4 L HA 0.141 4.485 4.340 0.007 0.000 0.228 4 L C 1.764 178.663 176.870 0.047 0.000 1.123 4 L CA 0.524 55.408 54.840 0.073 0.000 0.890 4 L CB -0.180 41.930 42.059 0.085 0.000 1.103 4 L HN 0.079 nan 8.230 nan 0.000 0.468 5 L N -1.495 119.748 121.223 0.033 0.000 2.341 5 L HA 0.031 4.375 4.340 0.007 0.000 0.214 5 L C 1.219 178.075 176.870 -0.024 0.000 1.115 5 L CA 0.357 55.192 54.840 -0.007 0.000 0.820 5 L CB -0.058 42.001 42.059 -0.000 0.000 0.944 5 L HN 0.199 nan 8.230 nan 0.000 0.452 6 H N 0.598 119.647 119.070 -0.036 0.000 2.803 6 H HA 0.147 4.708 4.556 0.007 0.000 0.330 6 H C -0.975 174.319 175.328 -0.057 0.000 1.057 6 H CA -0.014 56.014 56.048 -0.034 0.000 1.458 6 H CB 1.106 30.868 29.762 0.001 0.000 1.470 6 H HN -0.020 nan 8.280 nan 0.000 0.560 7 L N 4.902 125.839 121.223 -0.477 0.000 2.366 7 L HA 0.277 4.621 4.340 0.007 0.000 0.266 7 L C 0.011 176.790 176.870 -0.152 0.000 1.010 7 L CA -0.308 54.281 54.840 -0.419 0.000 0.879 7 L CB 0.736 42.410 42.059 -0.643 0.000 1.228 7 L HN 0.657 nan 8.230 nan 0.000 0.439 8 A N 5.930 128.935 122.820 0.308 0.000 2.492 8 A HA 0.429 4.753 4.320 0.007 0.000 0.254 8 A C -1.338 176.426 177.584 0.301 0.000 1.091 8 A CA -0.656 51.610 52.037 0.381 0.000 0.768 8 A CB -0.119 19.112 19.000 0.385 0.000 1.028 8 A HN 0.614 nan 8.150 nan 0.000 0.498 9 P HA -0.141 nan 4.420 nan 0.000 0.226 9 P C 0.724 178.102 177.300 0.130 0.000 1.153 9 P CA 1.099 64.284 63.100 0.143 0.000 0.777 9 P CB 0.047 31.804 31.700 0.094 0.000 0.794 10 N N -0.021 118.751 118.700 0.120 0.000 2.376 10 N HA -0.041 4.703 4.740 0.007 0.000 0.177 10 N C 1.493 177.029 175.510 0.043 0.000 1.024 10 N CA 0.683 53.772 53.050 0.064 0.000 0.893 10 N CB -1.163 37.346 38.487 0.036 0.000 0.980 10 N HN 0.050 nan 8.380 nan 0.000 0.439 11 V N -0.183 119.779 119.914 0.080 0.000 2.341 11 V HA 0.053 4.178 4.120 0.007 0.000 0.240 11 V C 0.619 176.636 176.094 -0.130 0.000 1.035 11 V CA 0.592 62.859 62.300 -0.056 0.000 1.033 11 V CB -0.450 31.320 31.823 -0.088 0.000 0.678 11 V HN 0.153 nan 8.190 nan 0.000 0.464 12 W N 0.173 121.497 121.300 0.040 0.000 2.215 12 W HA 0.410 5.074 4.660 0.007 0.000 0.342 12 W C -2.012 174.523 176.519 0.028 0.000 1.237 12 W CA -2.141 55.226 57.345 0.038 0.000 1.283 12 W CB -0.796 28.682 29.460 0.030 0.000 1.131 12 W HN 0.022 nan 8.180 nan 0.000 0.606 13 P HA 0.022 nan 4.420 nan 0.000 0.271 13 P C 0.546 177.927 177.300 0.134 0.000 1.238 13 P CA 0.100 63.293 63.100 0.155 0.000 0.794 13 P CB 0.608 32.404 31.700 0.160 0.000 0.959 14 R N 0.133 120.690 120.500 0.095 0.000 2.200 14 R HA 0.077 4.421 4.340 0.007 0.000 0.208 14 R C 0.282 176.618 176.300 0.061 0.000 1.033 14 R CA 0.733 56.876 56.100 0.072 0.000 1.000 14 R CB -0.126 30.206 30.300 0.054 0.000 0.906 14 R HN 0.437 nan 8.270 nan 0.000 0.462 15 N N 0.846 119.586 118.700 0.066 0.000 2.761 15 N HA 0.010 4.754 4.740 0.007 0.000 0.317 15 N C -0.856 174.682 175.510 0.048 0.000 1.546 15 N CA 0.147 53.225 53.050 0.046 0.000 1.015 15 N CB 1.490 40.000 38.487 0.039 0.000 1.343 15 N HN 0.023 nan 8.380 nan 0.000 0.504 16 T N -0.550 114.034 114.554 0.050 0.000 2.829 16 T HA 0.649 5.003 4.350 0.007 0.000 0.280 16 T C -0.146 174.545 174.700 -0.016 0.000 0.999 16 T CA -0.271 61.848 62.100 0.032 0.000 0.983 16 T CB 1.679 70.595 68.868 0.079 0.000 0.968 16 T HN 0.264 nan 8.240 nan 0.000 0.446 17 T N 1.590 116.120 114.554 -0.040 0.000 2.821 17 T HA 0.636 4.990 4.350 0.007 0.000 0.306 17 T C -0.954 173.704 174.700 -0.070 0.000 1.313 17 T CA -1.183 60.885 62.100 -0.053 0.000 1.012 17 T CB 1.417 70.266 68.868 -0.032 0.000 1.298 17 T HN 0.707 nan 8.240 nan 0.000 0.502 18 R N 0.970 121.427 120.500 -0.072 0.000 2.393 18 R HA 0.454 4.798 4.340 0.007 0.000 0.310 18 R C -0.540 175.734 176.300 -0.045 0.000 0.968 18 R CA -0.859 55.200 56.100 -0.068 0.000 0.867 18 R CB 1.061 31.313 30.300 -0.079 0.000 1.124 18 R HN 0.692 nan 8.270 nan 0.000 0.450 19 D N 1.907 122.285 120.400 -0.036 0.000 2.371 19 D HA -0.136 4.508 4.640 0.007 0.000 0.231 19 D C 0.902 177.187 176.300 -0.025 0.000 1.283 19 D CA 0.821 54.805 54.000 -0.026 0.000 0.884 19 D CB 0.721 41.508 40.800 -0.022 0.000 1.235 19 D HN 0.474 nan 8.370 nan 0.000 0.503 20 E N -0.329 119.859 120.200 -0.019 0.000 2.158 20 E HA -0.054 4.300 4.350 0.007 0.000 0.191 20 E C 1.690 178.280 176.600 -0.015 0.000 0.982 20 E CA 0.438 56.828 56.400 -0.017 0.000 0.823 20 E CB -0.171 29.521 29.700 -0.013 0.000 0.766 20 E HN 0.348 nan 8.360 nan 0.000 0.468 21 V N -1.912 117.993 119.914 -0.014 0.000 3.592 21 V HA 0.334 4.458 4.120 0.007 0.000 0.272 21 V C 1.430 177.515 176.094 -0.016 0.000 1.228 21 V CA 0.896 63.189 62.300 -0.013 0.000 1.173 21 V CB -0.717 31.101 31.823 -0.010 0.000 0.873 21 V HN 0.336 nan 8.190 nan 0.000 0.476 22 G N -0.503 108.284 108.800 -0.022 0.000 2.217 22 G HA2 -0.239 3.726 3.960 0.007 0.000 0.246 22 G HA3 -0.239 3.726 3.960 0.007 0.000 0.246 22 G C 0.193 175.071 174.900 -0.037 0.000 0.990 22 G CA 0.080 45.162 45.100 -0.030 0.000 0.627 22 G HN 0.797 nan 8.290 nan 0.000 0.522 23 V N 1.072 120.968 119.914 -0.029 0.000 2.811 23 V HA 0.418 4.542 4.120 0.007 0.000 0.302 23 V C 1.148 177.217 176.094 -0.042 0.000 1.063 23 V CA -0.176 62.107 62.300 -0.029 0.000 1.088 23 V CB 1.741 33.556 31.823 -0.015 0.000 0.982 23 V HN 0.281 nan 8.190 nan 0.000 0.485 24 V N 3.533 123.417 119.914 -0.049 0.000 2.509 24 V HA 0.328 4.452 4.120 0.007 0.000 0.284 24 V C -0.028 176.047 176.094 -0.031 0.000 1.047 24 V CA -0.307 61.951 62.300 -0.070 0.000 0.952 24 V CB 1.324 33.074 31.823 -0.122 0.000 0.988 24 V HN 1.006 nan 8.190 nan 0.000 0.469 25 C N 6.164 125.448 119.300 -0.028 0.000 2.441 25 C HA 0.693 5.157 4.460 0.007 0.000 0.318 25 C C -0.096 174.903 174.990 0.016 0.000 1.222 25 C CA -0.867 58.151 59.018 -0.000 0.000 1.474 25 C CB 0.676 28.413 27.740 -0.006 0.000 2.125 25 C HN 0.846 nan 8.230 nan 0.000 0.479 26 I N 0.357 120.952 120.570 0.042 0.000 2.530 26 I HA 0.734 4.908 4.170 0.007 0.000 0.297 26 I C 0.658 176.801 176.117 0.043 0.000 1.011 26 I CA -0.392 60.939 61.300 0.052 0.000 1.107 26 I CB 1.561 39.613 38.000 0.086 0.000 1.285 26 I HN 0.942 nan 8.210 nan 0.000 0.436 27 A N 3.873 126.712 122.820 0.032 0.000 2.860 27 A HA -0.051 4.274 4.320 0.007 0.000 0.267 27 A C 1.514 179.096 177.584 -0.004 0.000 1.421 27 A CA 1.307 53.351 52.037 0.012 0.000 0.831 27 A CB -2.198 16.817 19.000 0.025 0.000 1.041 27 A HN 2.699 nan 8.150 nan 0.000 0.623 28 G N -2.567 106.233 108.800 0.001 0.000 2.176 28 G HA2 -0.197 3.767 3.960 0.007 0.000 0.253 28 G HA3 -0.197 3.767 3.960 0.007 0.000 0.253 28 G C 0.022 174.925 174.900 0.005 0.000 0.979 28 G CA 0.284 45.381 45.100 -0.005 0.000 0.641 28 G HN 1.510 nan 8.290 nan 0.000 0.530 29 I N 1.817 122.399 120.570 0.020 0.000 2.330 29 I HA 0.296 4.470 4.170 0.007 0.000 0.289 29 I C -2.144 173.991 176.117 0.030 0.000 1.001 29 I CA -2.432 58.886 61.300 0.031 0.000 1.193 29 I CB 1.697 39.729 38.000 0.054 0.000 1.345 29 I HN -0.182 nan 8.210 nan 0.000 0.461 30 P HA -0.063 nan 4.420 nan 0.000 0.264 30 P C 0.635 177.955 177.300 0.033 0.000 1.183 30 P CA -0.197 62.913 63.100 0.017 0.000 0.763 30 P CB 0.568 32.274 31.700 0.011 0.000 0.807 31 L N 3.233 124.475 121.223 0.031 0.000 2.191 31 L HA -0.121 4.223 4.340 0.007 0.000 0.212 31 L C 2.108 179.005 176.870 0.045 0.000 1.103 31 L CA 2.048 56.916 54.840 0.045 0.000 0.769 31 L CB -1.934 40.151 42.059 0.042 0.000 0.908 31 L HN 0.391 nan 8.230 nan 0.000 0.438 32 T N -2.477 112.096 114.554 0.031 0.000 2.746 32 T HA -0.272 4.082 4.350 0.007 0.000 0.267 32 T C 1.750 176.465 174.700 0.026 0.000 1.039 32 T CA 1.233 63.349 62.100 0.026 0.000 1.142 32 T CB -0.257 68.620 68.868 0.016 0.000 0.866 32 T HN 0.355 nan 8.240 nan 0.000 0.444 33 Q N 0.132 119.947 119.800 0.025 0.000 2.050 33 Q HA -0.106 4.238 4.340 0.007 0.000 0.202 33 Q C 2.255 178.272 176.000 0.029 0.000 0.980 33 Q CA 1.093 56.905 55.803 0.016 0.000 0.840 33 Q CB -0.212 28.536 28.738 0.017 0.000 0.898 33 Q HN 0.315 nan 8.270 nan 0.000 0.424 34 L N 0.576 121.848 121.223 0.082 0.000 2.042 34 L HA -0.176 4.168 4.340 0.007 0.000 0.210 34 L C 2.384 179.357 176.870 0.172 0.000 1.076 34 L CA 2.120 57.068 54.840 0.181 0.000 0.749 34 L CB -1.467 40.697 42.059 0.175 0.000 0.893 34 L HN 0.272 nan 8.230 nan 0.000 0.432 35 A N -1.339 121.538 122.820 0.095 0.000 1.898 35 A HA -0.233 4.091 4.320 0.007 0.000 0.216 35 A C 2.260 179.872 177.584 0.046 0.000 1.181 35 A CA 1.538 53.620 52.037 0.075 0.000 0.620 35 A CB -0.532 18.498 19.000 0.051 0.000 0.819 35 A HN 0.559 nan 8.150 nan 0.000 0.442 36 Q N -0.382 119.427 119.800 0.016 0.000 2.123 36 Q HA -0.188 4.156 4.340 0.007 0.000 0.199 36 Q C 1.858 177.824 176.000 -0.058 0.000 0.966 36 Q CA 1.743 57.539 55.803 -0.012 0.000 0.845 36 Q CB -0.168 28.561 28.738 -0.014 0.000 0.907 36 Q HN 0.770 nan 8.270 nan 0.000 0.439 37 E N -0.892 119.237 120.200 -0.119 0.000 2.047 37 E HA -0.155 4.199 4.350 0.007 0.000 0.191 37 E C 0.906 177.274 176.600 -0.387 0.000 0.987 37 E CA 1.231 57.435 56.400 -0.327 0.000 0.799 37 E CB 0.162 29.526 29.700 -0.560 0.000 0.752 37 E HN 0.458 nan 8.360 nan 0.000 0.449 38 Y N -1.258 119.056 120.300 0.022 0.000 2.445 38 Y HA 0.331 4.885 4.550 0.007 0.000 0.247 38 Y C 0.681 176.596 175.900 0.026 0.000 1.129 38 Y CA 0.306 58.422 58.100 0.027 0.000 1.251 38 Y CB 1.622 40.102 38.460 0.032 0.000 1.176 38 Y HN 0.100 nan 8.280 nan 0.000 0.522 39 G N 0.641 109.524 108.800 0.138 0.000 2.661 39 G HA2 0.095 4.059 3.960 0.007 0.000 0.685 39 G HA3 0.095 4.059 3.960 0.007 0.000 0.685 39 G C -0.511 174.434 174.900 0.076 0.000 1.298 39 G CA -0.576 44.578 45.100 0.090 0.000 0.855 39 G HN 0.353 nan 8.290 nan 0.000 0.560 40 T N -1.043 113.541 114.554 0.050 0.000 2.903 40 T HA 0.799 5.153 4.350 0.007 0.000 0.299 40 T C -2.989 171.730 174.700 0.032 0.000 1.093 40 T CA -1.440 60.673 62.100 0.022 0.000 1.002 40 T CB 2.520 71.404 68.868 0.027 0.000 1.127 40 T HN 0.558 nan 8.240 nan 0.000 0.488 41 P HA 0.527 nan 4.420 nan 0.000 0.270 41 P C -1.185 176.027 177.300 -0.148 0.000 1.223 41 P CA -0.608 62.413 63.100 -0.131 0.000 0.785 41 P CB 0.364 31.965 31.700 -0.165 0.000 0.923 42 L N 1.762 122.810 121.223 -0.292 0.000 2.505 42 L HA 0.488 4.832 4.340 0.007 0.000 0.266 42 L C -1.536 175.158 176.870 -0.294 0.000 0.954 42 L CA -0.358 54.373 54.840 -0.181 0.000 0.852 42 L CB 0.993 43.022 42.059 -0.049 0.000 1.282 42 L HN 0.099 nan 8.230 nan 0.000 0.403 43 F N 4.338 124.221 119.950 -0.112 0.000 2.396 43 F HA 0.655 5.186 4.527 0.007 0.000 0.343 43 F C 0.039 175.773 175.800 -0.111 0.000 1.104 43 F CA -0.250 57.673 58.000 -0.128 0.000 1.161 43 F CB 1.679 40.578 39.000 -0.169 0.000 1.146 43 F HN 0.117 nan 8.300 nan 0.000 0.522 44 V N 5.598 125.577 119.914 0.108 0.000 2.488 44 V HA 0.351 4.475 4.120 0.007 0.000 0.293 44 V C -0.320 175.835 176.094 0.101 0.000 1.027 44 V CA -0.723 61.620 62.300 0.071 0.000 0.862 44 V CB 1.553 33.410 31.823 0.058 0.000 1.008 44 V HN 0.501 nan 8.190 nan 0.000 0.428 45 I N 3.348 123.982 120.570 0.108 0.000 2.307 45 I HA 0.310 4.484 4.170 0.007 0.000 0.289 45 I C -0.039 176.182 176.117 0.173 0.000 1.021 45 I CA -0.363 61.037 61.300 0.167 0.000 1.224 45 I CB 1.465 39.596 38.000 0.219 0.000 1.376 45 I HN 0.541 nan 8.210 nan 0.000 0.470 46 D N 6.524 127.023 120.400 0.166 0.000 2.398 46 D HA -0.069 4.575 4.640 0.007 0.000 0.250 46 D C 1.228 177.603 176.300 0.124 0.000 1.287 46 D CA 0.350 54.431 54.000 0.134 0.000 0.992 46 D CB 0.563 41.438 40.800 0.125 0.000 1.071 46 D HN 0.634 nan 8.370 nan 0.000 0.514 47 E N 2.715 122.933 120.200 0.030 0.000 2.130 47 E HA -0.289 4.065 4.350 0.007 0.000 0.196 47 E C 1.034 177.495 176.600 -0.231 0.000 0.998 47 E CA 1.495 57.715 56.400 -0.299 0.000 0.806 47 E CB 0.133 29.474 29.700 -0.599 0.000 0.738 47 E HN 0.574 nan 8.360 nan 0.000 0.459 48 D N 0.373 120.751 120.400 -0.035 0.000 2.117 48 D HA -0.207 4.438 4.640 0.007 0.000 0.198 48 D C 1.883 178.203 176.300 0.032 0.000 0.982 48 D CA 1.450 55.454 54.000 0.006 0.000 0.828 48 D CB -0.273 40.591 40.800 0.107 0.000 0.967 48 D HN 0.200 nan 8.370 nan 0.000 0.464 49 D N -0.574 119.869 120.400 0.073 0.000 2.127 49 D HA -0.261 4.383 4.640 0.007 0.000 0.190 49 D C 1.998 178.374 176.300 0.126 0.000 1.000 49 D CA 1.006 55.062 54.000 0.092 0.000 0.839 49 D CB -0.514 40.352 40.800 0.110 0.000 0.955 49 D HN 0.351 nan 8.370 nan 0.000 0.446 50 F N 1.192 121.149 119.950 0.011 0.000 2.091 50 F HA -0.200 4.332 4.527 0.007 0.000 0.299 50 F C 2.806 178.607 175.800 0.002 0.000 1.103 50 F CA 1.694 59.724 58.000 0.050 0.000 1.228 50 F CB -0.049 39.060 39.000 0.182 0.000 0.984 50 F HN -0.116 nan 8.300 nan 0.000 0.477 51 R N -0.727 119.934 120.500 0.268 0.000 2.115 51 R HA -0.145 4.199 4.340 0.007 0.000 0.230 51 R C 2.537 178.880 176.300 0.071 0.000 1.111 51 R CA 1.206 57.388 56.100 0.136 0.000 0.976 51 R CB -0.662 29.615 30.300 -0.038 0.000 0.870 51 R HN 0.215 nan 8.270 nan 0.000 0.445 52 S N 0.285 116.016 115.700 0.051 0.000 2.370 52 S HA -0.144 4.330 4.470 0.007 0.000 0.226 52 S C 1.869 176.480 174.600 0.017 0.000 1.033 52 S CA 1.347 59.564 58.200 0.029 0.000 1.011 52 S CB 0.031 63.249 63.200 0.030 0.000 0.852 52 S HN 0.165 nan 8.310 nan 0.000 0.457 53 R N 0.181 120.678 120.500 -0.005 0.000 2.066 53 R HA 0.031 4.375 4.340 0.007 0.000 0.232 53 R C 2.629 178.918 176.300 -0.018 0.000 1.131 53 R CA 1.707 57.785 56.100 -0.036 0.000 0.955 53 R CB -1.030 29.197 30.300 -0.121 0.000 0.851 53 R HN 0.475 nan 8.270 nan 0.000 0.432 54 C N -0.092 119.198 119.300 -0.017 0.000 2.376 54 C HA -0.157 4.307 4.460 0.007 0.000 0.275 54 C C 2.498 177.523 174.990 0.060 0.000 1.200 54 C CA 0.970 60.012 59.018 0.040 0.000 1.756 54 C CB -0.897 26.903 27.740 0.099 0.000 2.050 54 C HN 0.476 nan 8.230 nan 0.000 0.460 55 R N 0.306 120.837 120.500 0.051 0.000 2.105 55 R HA -0.159 4.185 4.340 0.007 0.000 0.239 55 R C 2.229 178.554 176.300 0.042 0.000 1.135 55 R CA 1.593 57.720 56.100 0.044 0.000 0.967 55 R CB -0.290 30.028 30.300 0.030 0.000 0.861 55 R HN 0.665 nan 8.270 nan 0.000 0.442 56 E N -1.044 119.178 120.200 0.037 0.000 2.112 56 E HA -0.095 4.259 4.350 0.007 0.000 0.190 56 E C 1.360 177.986 176.600 0.043 0.000 0.979 56 E CA 1.310 57.726 56.400 0.027 0.000 0.814 56 E CB 0.294 30.005 29.700 0.018 0.000 0.762 56 E HN 0.266 nan 8.360 nan 0.000 0.460 57 T N 0.532 115.135 114.554 0.081 0.000 2.770 57 T HA -0.052 4.302 4.350 0.007 0.000 0.263 57 T C 1.916 176.753 174.700 0.229 0.000 1.039 57 T CA 1.068 63.267 62.100 0.165 0.000 1.142 57 T CB -0.258 68.705 68.868 0.159 0.000 0.868 57 T HN 0.242 nan 8.240 nan 0.000 0.435 58 A N 1.702 124.618 122.820 0.159 0.000 1.917 58 A HA 0.031 4.355 4.320 0.007 0.000 0.219 58 A C 2.634 180.285 177.584 0.111 0.000 1.182 58 A CA 2.046 54.171 52.037 0.147 0.000 0.633 58 A CB -1.177 17.886 19.000 0.106 0.000 0.819 58 A HN 0.515 nan 8.150 nan 0.000 0.448 59 A N -0.335 122.524 122.820 0.065 0.000 1.902 59 A HA 0.162 4.486 4.320 0.007 0.000 0.217 59 A C 2.489 180.066 177.584 -0.011 0.000 1.181 59 A CA 2.095 54.147 52.037 0.026 0.000 0.623 59 A CB -0.956 18.049 19.000 0.008 0.000 0.818 59 A HN 1.107 nan 8.150 nan 0.000 0.443 60 A N -1.661 121.131 122.820 -0.047 0.000 1.969 60 A HA 0.090 4.414 4.320 0.007 0.000 0.218 60 A C 1.808 179.169 177.584 -0.371 0.000 1.169 60 A CA 1.359 53.260 52.037 -0.227 0.000 0.635 60 A CB -0.555 18.257 19.000 -0.313 0.000 0.810 60 A HN 0.493 nan 8.150 nan 0.000 0.445 61 F N -1.720 118.220 119.950 -0.017 0.000 2.714 61 F HA 0.360 4.891 4.527 0.006 0.000 0.294 61 F C 1.861 177.655 175.800 -0.009 0.000 1.120 61 F CA 0.857 58.843 58.000 -0.022 0.000 1.398 61 F CB 0.598 39.580 39.000 -0.030 0.000 1.120 61 F HN 0.371 nan 8.300 nan 0.000 0.589 62 G N -0.077 108.793 108.800 0.116 0.000 2.192 62 G HA2 -0.043 3.921 3.960 0.007 0.000 0.193 62 G HA3 -0.043 3.921 3.960 0.007 0.000 0.193 62 G C 0.127 175.073 174.900 0.077 0.000 0.999 62 G CA -0.024 45.118 45.100 0.070 0.000 0.659 62 G HN 0.499 nan 8.290 nan 0.000 0.503 63 S N -2.263 113.499 115.700 0.102 0.000 2.751 63 S HA 0.493 4.967 4.470 0.007 0.000 0.289 63 S C 1.077 175.739 174.600 0.105 0.000 0.965 63 S CA 0.681 58.933 58.200 0.087 0.000 0.855 63 S CB 0.302 63.547 63.200 0.075 0.000 1.068 63 S HN 1.659 nan 8.310 nan 0.000 0.462 64 G N 1.717 110.574 108.800 0.095 0.000 2.535 64 G HA2 0.159 4.123 3.960 0.007 0.000 0.218 64 G HA3 0.159 4.123 3.960 0.007 0.000 0.218 64 G C 1.422 176.399 174.900 0.128 0.000 1.122 64 G CA 1.016 46.183 45.100 0.111 0.000 0.769 64 G HN 1.223 nan 8.290 nan 0.000 0.549 65 A N 1.227 124.113 122.820 0.110 0.000 2.015 65 A HA -0.018 4.306 4.320 0.007 0.000 0.219 65 A C 2.026 179.715 177.584 0.175 0.000 1.163 65 A CA 1.247 53.357 52.037 0.122 0.000 0.646 65 A CB -0.173 18.878 19.000 0.085 0.000 0.806 65 A HN 0.329 nan 8.150 nan 0.000 0.448 66 N N -0.384 118.385 118.700 0.116 0.000 2.398 66 N HA 0.099 4.844 4.740 0.007 0.000 0.188 66 N C -0.541 174.906 175.510 -0.105 0.000 1.122 66 N CA 0.427 53.492 53.050 0.024 0.000 0.866 66 N CB 0.715 39.232 38.487 0.050 0.000 0.970 66 N HN 0.201 nan 8.380 nan 0.000 0.462 67 V N 1.435 121.371 119.914 0.037 0.000 2.409 67 V HA 0.204 4.329 4.120 0.007 0.000 0.290 67 V C -0.626 175.602 176.094 0.224 0.000 1.017 67 V CA -0.747 61.555 62.300 0.003 0.000 0.841 67 V CB 1.105 32.961 31.823 0.055 0.000 1.003 67 V HN 0.186 nan 8.190 nan 0.000 0.426 68 H N 4.176 123.259 119.070 0.022 0.000 2.519 68 H HA 0.344 4.904 4.556 0.007 0.000 0.316 68 H C -0.824 174.558 175.328 0.089 0.000 1.065 68 H CA -0.770 55.314 56.048 0.060 0.000 1.264 68 H CB 1.407 31.190 29.762 0.036 0.000 1.413 68 H HN 0.660 nan 8.280 nan 0.000 0.465 69 Y N 2.740 123.108 120.300 0.112 0.000 2.526 69 Y HA 0.185 4.739 4.550 0.007 0.000 0.330 69 Y C -0.273 175.642 175.900 0.025 0.000 1.156 69 Y CA -1.223 56.909 58.100 0.054 0.000 1.419 69 Y CB 0.425 38.925 38.460 0.067 0.000 1.250 69 Y HN 0.692 nan 8.280 nan 0.000 0.540 70 A N 6.416 128.869 122.820 -0.612 0.000 2.506 70 A HA 0.551 4.875 4.320 0.007 0.000 0.320 70 A C 1.198 178.250 177.584 -0.886 0.000 1.424 70 A CA 0.011 51.722 52.037 -0.543 0.000 1.044 70 A CB -0.598 18.241 19.000 -0.269 0.000 1.140 70 A HN 1.175 nan 8.150 nan 0.000 0.538 71 A N 3.260 125.686 122.820 -0.657 0.000 2.139 71 A HA -0.181 4.143 4.320 0.007 0.000 0.221 71 A C 2.083 179.485 177.584 -0.302 0.000 1.159 71 A CA 1.779 53.526 52.037 -0.483 0.000 0.662 71 A CB -0.349 18.503 19.000 -0.247 0.000 0.796 71 A HN 0.887 nan 8.150 nan 0.000 0.463 72 K N -0.348 119.911 120.400 -0.236 0.000 2.209 72 K HA 0.007 4.331 4.320 0.007 0.000 0.204 72 K C 1.894 178.419 176.600 -0.126 0.000 1.048 72 K CA 1.289 57.538 56.287 -0.063 0.000 0.940 72 K CB -0.548 31.986 32.500 0.056 0.000 0.729 72 K HN 0.280 nan 8.250 nan 0.000 0.451 73 A N 1.282 123.871 122.820 -0.384 0.000 1.902 73 A HA 0.012 4.336 4.320 0.007 0.000 0.217 73 A C 0.714 178.233 177.584 -0.108 0.000 1.181 73 A CA 1.100 52.733 52.037 -0.673 0.000 0.623 73 A CB -0.257 18.471 19.000 -0.453 0.000 0.818 73 A HN 0.540 nan 8.150 nan 0.000 0.443 74 F N -2.746 117.154 119.950 -0.083 0.000 2.662 74 F HA 0.529 5.060 4.527 0.007 0.000 0.319 74 F C -2.100 173.747 175.800 0.079 0.000 1.079 74 F CA -1.410 56.601 58.000 0.019 0.000 1.062 74 F CB 0.778 39.794 39.000 0.025 0.000 1.299 74 F HN 0.092 nan 8.300 nan 0.000 0.487 75 L N 6.985 127.822 121.223 -0.642 0.000 2.445 75 L HA 0.911 5.255 4.340 0.007 0.000 0.262 75 L C -1.297 175.154 176.870 -0.697 0.000 0.974 75 L CA -0.328 54.146 54.840 -0.609 0.000 0.822 75 L CB 1.876 43.780 42.059 -0.259 0.000 1.339 75 L HN 1.098 nan 8.230 nan 0.000 0.409 76 C N 0.042 118.963 119.300 -0.632 0.000 3.275 76 C HA 0.518 4.982 4.460 0.007 0.000 0.340 76 C C 1.328 176.106 174.990 -0.353 0.000 1.366 76 C CA -0.029 58.728 59.018 -0.436 0.000 1.227 76 C CB 0.998 28.454 27.740 -0.473 0.000 1.512 76 C HN 0.787 nan 8.230 nan 0.000 0.461 77 S N 0.460 116.028 115.700 -0.221 0.000 2.399 77 S HA -0.141 4.333 4.470 0.007 0.000 0.231 77 S C 1.656 176.122 174.600 -0.222 0.000 1.022 77 S CA 1.708 59.830 58.200 -0.131 0.000 0.983 77 S CB -0.295 62.907 63.200 0.002 0.000 0.803 77 S HN 0.843 nan 8.310 nan 0.000 0.480 78 E N 1.069 121.066 120.200 -0.339 0.000 2.038 78 E HA -0.101 4.253 4.350 0.007 0.000 0.195 78 E C 2.241 178.268 176.600 -0.955 0.000 1.000 78 E CA 1.023 57.124 56.400 -0.498 0.000 0.803 78 E CB -0.401 28.995 29.700 -0.507 0.000 0.750 78 E HN 0.350 nan 8.360 nan 0.000 0.448 79 V N 1.150 120.445 119.914 -1.031 0.000 2.453 79 V HA -0.184 3.940 4.120 0.007 0.000 0.247 79 V C 2.423 178.195 176.094 -0.536 0.000 1.048 79 V CA 1.438 63.023 62.300 -1.191 0.000 1.049 79 V CB -0.753 30.503 31.823 -0.945 0.000 0.672 79 V HN 0.246 nan 8.190 nan 0.000 0.457 80 A N 0.676 123.312 122.820 -0.307 0.000 1.892 80 A HA -0.315 4.009 4.320 0.007 0.000 0.218 80 A C 2.405 180.074 177.584 0.141 0.000 1.188 80 A CA 2.417 54.448 52.037 -0.011 0.000 0.631 80 A CB -0.651 18.360 19.000 0.019 0.000 0.822 80 A HN 0.527 nan 8.150 nan 0.000 0.447 81 R N -1.588 118.917 120.500 0.009 0.000 2.105 81 R HA -0.199 4.145 4.340 0.007 0.000 0.239 81 R C 1.849 178.260 176.300 0.185 0.000 1.135 81 R CA 1.892 58.039 56.100 0.078 0.000 0.967 81 R CB -0.355 29.974 30.300 0.049 0.000 0.861 81 R HN 0.656 nan 8.270 nan 0.000 0.442 82 W N 0.816 122.062 121.300 -0.090 0.000 2.363 82 W HA -0.093 4.571 4.660 0.007 0.000 0.296 82 W C 2.022 178.542 176.519 0.002 0.000 1.212 82 W CA 0.048 57.324 57.345 -0.116 0.000 1.260 82 W CB -0.621 28.655 29.460 -0.307 0.000 1.131 82 W HN 0.102 nan 8.180 nan 0.000 0.530 83 I N -0.299 120.453 120.570 0.303 0.000 2.252 83 I HA -0.237 3.937 4.170 0.007 0.000 0.245 83 I C 2.552 178.855 176.117 0.310 0.000 1.102 83 I CA 1.520 63.019 61.300 0.332 0.000 1.385 83 I CB -1.683 36.531 38.000 0.357 0.000 1.064 83 I HN -0.044 nan 8.210 nan 0.000 0.414 84 S N 0.806 116.667 115.700 0.268 0.000 2.369 84 S HA -0.263 4.211 4.470 0.007 0.000 0.225 84 S C 1.904 176.484 174.600 -0.034 0.000 1.043 84 S CA 1.960 60.092 58.200 -0.112 0.000 1.074 84 S CB -0.174 62.835 63.200 -0.318 0.000 0.962 84 S HN 0.460 nan 8.310 nan 0.000 0.433 85 E N 0.081 120.297 120.200 0.025 0.000 2.160 85 E HA -0.121 4.234 4.350 0.007 0.000 0.195 85 E C 1.895 178.511 176.600 0.026 0.000 0.991 85 E CA 1.153 57.560 56.400 0.012 0.000 0.810 85 E CB -0.052 29.660 29.700 0.020 0.000 0.742 85 E HN 0.509 nan 8.360 nan 0.000 0.466 86 E N -0.633 119.611 120.200 0.073 0.000 2.502 86 E HA 0.010 4.364 4.350 0.007 0.000 0.194 86 E C 1.062 177.707 176.600 0.075 0.000 1.062 86 E CA 0.646 57.091 56.400 0.076 0.000 0.867 86 E CB 0.703 30.473 29.700 0.118 0.000 0.888 86 E HN 0.373 nan 8.360 nan 0.000 0.510 87 G N 1.408 110.248 108.800 0.067 0.000 2.137 87 G HA2 -0.256 3.708 3.960 0.007 0.000 0.237 87 G HA3 -0.256 3.708 3.960 0.007 0.000 0.237 87 G C 0.265 175.226 174.900 0.102 0.000 1.002 87 G CA 0.310 45.443 45.100 0.055 0.000 0.702 87 G HN 0.173 nan 8.290 nan 0.000 0.515 88 L N -0.967 120.354 121.223 0.164 0.000 2.400 88 L HA 0.647 4.991 4.340 0.007 0.000 0.264 88 L C 1.265 178.303 176.870 0.280 0.000 1.061 88 L CA -1.121 53.846 54.840 0.211 0.000 0.799 88 L CB 0.800 42.995 42.059 0.227 0.000 1.240 88 L HN 0.220 nan 8.230 nan 0.000 0.461 89 C N 0.657 120.099 119.300 0.236 0.000 2.352 89 C HA 0.656 5.120 4.460 0.007 0.000 0.387 89 C C 0.036 175.074 174.990 0.081 0.000 1.294 89 C CA -0.540 58.560 59.018 0.137 0.000 2.137 89 C CB 1.287 28.869 27.740 -0.263 0.000 2.146 89 C HN 0.541 nan 8.230 nan 0.000 0.559 90 L N 1.593 122.722 121.223 -0.158 0.000 2.404 90 L HA 0.459 4.803 4.340 0.007 0.000 0.272 90 L C -1.363 175.372 176.870 -0.224 0.000 0.980 90 L CA 0.198 54.858 54.840 -0.301 0.000 0.836 90 L CB 0.983 42.481 42.059 -0.935 0.000 1.238 90 L HN 0.571 nan 8.230 nan 0.000 0.408 91 D N 3.782 124.117 120.400 -0.108 0.000 2.280 91 D HA 0.500 5.144 4.640 0.007 0.000 0.243 91 D C -0.361 175.891 176.300 -0.079 0.000 1.129 91 D CA 0.257 54.247 54.000 -0.017 0.000 0.848 91 D CB 1.706 42.556 40.800 0.085 0.000 1.107 91 D HN 0.342 nan 8.370 nan 0.000 0.471 92 V N -0.213 119.674 119.914 -0.046 0.000 2.864 92 V HA 0.515 4.639 4.120 0.007 0.000 0.314 92 V C 0.432 176.526 176.094 0.000 0.000 1.073 92 V CA -0.733 61.530 62.300 -0.062 0.000 0.956 92 V CB 1.548 33.317 31.823 -0.090 0.000 1.023 92 V HN 0.654 nan 8.190 nan 0.000 0.435 93 C N 1.520 120.815 119.300 -0.008 0.000 2.341 93 C HA 0.413 4.877 4.460 0.007 0.000 0.372 93 C C 1.308 176.313 174.990 0.025 0.000 1.430 93 C CA 1.316 60.350 59.018 0.026 0.000 2.316 93 C CB 0.392 28.139 27.740 0.012 0.000 2.416 93 C HN 1.102 nan 8.230 nan 0.000 0.583 94 T N -1.060 113.498 114.554 0.006 0.000 2.870 94 T HA 0.477 4.831 4.350 0.007 0.000 0.277 94 T C 1.254 175.952 174.700 -0.005 0.000 1.000 94 T CA 0.398 62.502 62.100 0.007 0.000 0.982 94 T CB 1.114 69.987 68.868 0.007 0.000 1.249 94 T HN 0.446 nan 8.240 nan 0.000 0.589 95 G N 0.474 109.272 108.800 -0.004 0.000 2.574 95 G HA2 -0.211 3.754 3.960 0.007 0.000 0.220 95 G HA3 -0.211 3.754 3.960 0.007 0.000 0.220 95 G C 1.549 176.440 174.900 -0.014 0.000 1.173 95 G CA 1.406 46.501 45.100 -0.008 0.000 0.772 95 G HN 0.814 nan 8.290 nan 0.000 0.585 96 G N -0.044 108.746 108.800 -0.017 0.000 2.421 96 G HA2 -0.020 3.945 3.960 0.007 0.000 0.217 96 G HA3 -0.020 3.945 3.960 0.007 0.000 0.217 96 G C 1.613 176.492 174.900 -0.036 0.000 1.143 96 G CA 0.936 46.021 45.100 -0.025 0.000 0.784 96 G HN 0.525 nan 8.290 nan 0.000 0.541 97 E N -0.360 119.817 120.200 -0.038 0.000 2.110 97 E HA -0.109 4.245 4.350 0.007 0.000 0.193 97 E C 2.361 178.923 176.600 -0.064 0.000 0.988 97 E CA 0.677 57.042 56.400 -0.059 0.000 0.804 97 E CB -0.115 29.548 29.700 -0.062 0.000 0.745 97 E HN 0.355 nan 8.360 nan 0.000 0.458 98 L N 1.081 122.276 121.223 -0.046 0.000 2.027 98 L HA -0.092 4.252 4.340 0.007 0.000 0.206 98 L C 2.246 179.105 176.870 -0.018 0.000 1.074 98 L CA 2.019 56.836 54.840 -0.038 0.000 0.745 98 L CB -0.859 41.185 42.059 -0.025 0.000 0.898 98 L HN 0.012 nan 8.230 nan 0.000 0.433 99 A N -0.543 122.269 122.820 -0.013 0.000 1.896 99 A HA -0.287 4.037 4.320 0.007 0.000 0.220 99 A C 2.441 180.033 177.584 0.014 0.000 1.206 99 A CA 3.142 55.181 52.037 0.003 0.000 0.647 99 A CB -1.631 17.363 19.000 -0.010 0.000 0.828 99 A HN 0.583 nan 8.150 nan 0.000 0.455 100 V N -1.779 118.120 119.914 -0.024 0.000 2.719 100 V HA 0.105 4.230 4.120 0.007 0.000 0.252 100 V C 2.456 178.559 176.094 0.014 0.000 1.065 100 V CA 1.828 64.112 62.300 -0.028 0.000 1.086 100 V CB -0.963 30.800 31.823 -0.099 0.000 0.700 100 V HN 0.648 nan 8.190 nan 0.000 0.467 101 A N 0.474 123.284 122.820 -0.017 0.000 1.908 101 A HA -0.128 4.196 4.320 0.007 0.000 0.218 101 A C 2.131 179.775 177.584 0.099 0.000 1.181 101 A CA 2.363 54.398 52.037 -0.004 0.000 0.627 101 A CB -0.705 18.241 19.000 -0.091 0.000 0.818 101 A HN 0.534 nan 8.150 nan 0.000 0.445 102 L N -1.225 120.048 121.223 0.083 0.000 2.044 102 L HA -0.059 4.285 4.340 0.007 0.000 0.205 102 L C 2.297 179.225 176.870 0.097 0.000 1.075 102 L CA 2.307 57.201 54.840 0.090 0.000 0.747 102 L CB -1.500 40.595 42.059 0.060 0.000 0.903 102 L HN 0.690 nan 8.230 nan 0.000 0.435 103 H N -0.248 118.825 119.070 0.005 0.000 2.466 103 H HA -0.153 4.407 4.556 0.007 0.000 0.297 103 H C 1.538 176.865 175.328 -0.002 0.000 1.113 103 H CA 1.507 57.553 56.048 -0.004 0.000 1.273 103 H CB 0.256 30.009 29.762 -0.016 0.000 1.371 103 H HN 0.311 nan 8.280 nan 0.000 0.528 104 A N -0.686 122.209 122.820 0.125 0.000 2.462 104 A HA 0.279 4.604 4.320 0.007 0.000 0.261 104 A C 0.875 178.484 177.584 0.042 0.000 1.323 104 A CA 0.418 52.494 52.037 0.065 0.000 0.913 104 A CB -0.178 18.874 19.000 0.087 0.000 1.028 104 A HN 0.344 nan 8.150 nan 0.000 0.511 105 S N -0.863 114.848 115.700 0.019 0.000 3.491 105 S HA -0.208 4.266 4.470 0.007 0.000 0.371 105 S C -0.087 174.534 174.600 0.034 0.000 0.980 105 S CA 0.616 58.822 58.200 0.011 0.000 1.204 105 S CB -1.831 61.346 63.200 -0.038 0.000 0.915 105 S HN 0.683 nan 8.310 nan 0.000 0.482 106 F N 2.657 122.593 119.950 -0.023 0.000 2.495 106 F HA 0.367 4.898 4.527 0.007 0.000 0.365 106 F C -1.995 173.790 175.800 -0.025 0.000 1.090 106 F CA -2.165 55.822 58.000 -0.021 0.000 1.235 106 F CB 0.463 39.452 39.000 -0.018 0.000 1.119 106 F HN -0.036 nan 8.300 nan 0.000 0.562 107 P HA 0.058 nan 4.420 nan 0.000 0.260 107 P C -2.267 175.087 177.300 0.089 0.000 1.207 107 P CA -0.830 62.193 63.100 -0.129 0.000 0.780 107 P CB 0.399 31.933 31.700 -0.276 0.000 0.789 108 P HA -0.192 nan 4.420 nan 0.000 0.218 108 P C 0.939 178.268 177.300 0.050 0.000 1.148 108 P CA 1.400 64.553 63.100 0.089 0.000 0.822 108 P CB -0.046 31.680 31.700 0.044 0.000 0.784 109 E N -0.676 119.532 120.200 0.013 0.000 2.333 109 E HA -0.135 4.219 4.350 0.007 0.000 0.198 109 E C 1.483 178.045 176.600 -0.064 0.000 1.007 109 E CA 0.906 57.291 56.400 -0.025 0.000 0.845 109 E CB -0.614 29.066 29.700 -0.033 0.000 0.766 109 E HN 0.247 nan 8.360 nan 0.000 0.507 110 R N 0.047 120.553 120.500 0.011 0.000 2.468 110 R HA 0.335 4.679 4.340 0.007 0.000 0.280 110 R C -0.244 176.076 176.300 0.034 0.000 0.963 110 R CA -0.170 55.942 56.100 0.019 0.000 1.083 110 R CB 0.422 30.786 30.300 0.106 0.000 1.200 110 R HN 0.133 nan 8.270 nan 0.000 0.541 111 I N 0.301 120.865 120.570 -0.009 0.000 2.437 111 I HA 0.231 4.405 4.170 0.007 0.000 0.298 111 I C 0.020 176.053 176.117 -0.141 0.000 0.984 111 I CA -0.302 60.941 61.300 -0.096 0.000 1.214 111 I CB 2.127 40.099 38.000 -0.047 0.000 1.365 111 I HN -0.109 nan 8.210 nan 0.000 0.469 112 T N 6.289 120.749 114.554 -0.157 0.000 2.841 112 T HA 0.465 4.819 4.350 0.007 0.000 0.283 112 T C -0.799 173.838 174.700 -0.105 0.000 1.000 112 T CA -0.423 61.611 62.100 -0.110 0.000 0.977 112 T CB 1.724 70.535 68.868 -0.094 0.000 0.979 112 T HN 0.201 nan 8.240 nan 0.000 0.446 113 L N 4.099 125.239 121.223 -0.138 0.000 2.295 113 L HA 0.518 4.863 4.340 0.007 0.000 0.285 113 L C -0.624 176.114 176.870 -0.221 0.000 1.035 113 L CA -0.186 54.587 54.840 -0.112 0.000 0.806 113 L CB 0.542 42.559 42.059 -0.069 0.000 1.214 113 L HN 0.637 nan 8.230 nan 0.000 0.426 114 H N 3.032 122.057 119.070 -0.075 0.000 2.670 114 H HA 0.875 5.435 4.556 0.007 0.000 0.361 114 H C -0.345 174.973 175.328 -0.016 0.000 1.169 114 H CA -0.245 55.752 56.048 -0.087 0.000 1.198 114 H CB 2.225 31.903 29.762 -0.139 0.000 1.700 114 H HN 0.826 nan 8.280 nan 0.000 0.542 115 G N 0.997 109.914 108.800 0.196 0.000 2.343 115 G HA2 -0.139 3.825 3.960 0.007 0.000 0.298 115 G HA3 -0.139 3.825 3.960 0.007 0.000 0.298 115 G C 0.288 175.340 174.900 0.253 0.000 1.644 115 G CA -0.457 44.783 45.100 0.233 0.000 0.958 115 G HN 0.672 nan 8.290 nan 0.000 0.702 116 N N -0.142 118.721 118.700 0.272 0.000 2.494 116 N HA -0.033 4.711 4.740 0.007 0.000 0.182 116 N C 0.492 176.003 175.510 0.001 0.000 1.076 116 N CA 0.941 54.030 53.050 0.065 0.000 0.908 116 N CB 0.416 38.711 38.487 -0.320 0.000 0.967 116 N HN 0.424 nan 8.380 nan 0.000 0.449 117 N N 0.327 119.037 118.700 0.016 0.000 2.636 117 N HA 0.166 4.910 4.740 0.007 0.000 0.287 117 N C -1.473 174.041 175.510 0.007 0.000 1.817 117 N CA -0.406 52.642 53.050 -0.004 0.000 0.842 117 N CB 0.338 38.809 38.487 -0.025 0.000 1.353 117 N HN -0.074 nan 8.380 nan 0.000 0.500 118 K N 0.420 120.830 120.400 0.016 0.000 2.484 118 K HA 0.097 4.422 4.320 0.007 0.000 0.280 118 K C 0.526 177.126 176.600 0.001 0.000 1.013 118 K CA 0.098 56.391 56.287 0.010 0.000 1.029 118 K CB 0.389 32.893 32.500 0.008 0.000 0.902 118 K HN 0.480 nan 8.250 nan 0.000 0.481 119 S N 1.078 116.777 115.700 -0.001 0.000 2.669 119 S HA 0.148 4.622 4.470 0.007 0.000 0.270 119 S C 1.208 175.805 174.600 -0.005 0.000 1.225 119 S CA -0.955 57.243 58.200 -0.004 0.000 0.991 119 S CB 1.300 64.498 63.200 -0.005 0.000 0.987 119 S HN 0.243 nan 8.310 nan 0.000 0.552 120 V N 1.802 121.712 119.914 -0.006 0.000 2.515 120 V HA -0.132 3.992 4.120 0.007 0.000 0.250 120 V C 2.990 179.079 176.094 -0.007 0.000 1.058 120 V CA 2.123 64.419 62.300 -0.007 0.000 1.064 120 V CB -1.317 30.502 31.823 -0.007 0.000 0.675 120 V HN 1.060 nan 8.190 nan 0.000 0.461 121 S N 0.188 115.884 115.700 -0.007 0.000 2.368 121 S HA -0.253 4.221 4.470 0.007 0.000 0.225 121 S C 1.811 176.407 174.600 -0.006 0.000 1.030 121 S CA 1.722 59.918 58.200 -0.006 0.000 0.999 121 S CB -0.468 62.728 63.200 -0.005 0.000 0.844 121 S HN 0.705 nan 8.310 nan 0.000 0.459 122 E N 1.165 121.362 120.200 -0.006 0.000 2.077 122 E HA -0.010 4.344 4.350 0.007 0.000 0.193 122 E C 2.158 178.754 176.600 -0.007 0.000 0.989 122 E CA 1.297 57.694 56.400 -0.006 0.000 0.800 122 E CB -0.340 29.358 29.700 -0.003 0.000 0.746 122 E HN 0.504 nan 8.360 nan 0.000 0.452 123 L N 0.459 121.678 121.223 -0.008 0.000 2.027 123 L HA -0.156 4.188 4.340 0.007 0.000 0.206 123 L C 2.611 179.475 176.870 -0.010 0.000 1.074 123 L CA 1.154 55.989 54.840 -0.010 0.000 0.745 123 L CB -0.522 41.531 42.059 -0.010 0.000 0.898 123 L HN 0.160 nan 8.230 nan 0.000 0.433 124 T N 0.009 114.556 114.554 -0.010 0.000 2.635 124 T HA -0.254 4.100 4.350 0.007 0.000 0.267 124 T C 1.967 176.662 174.700 -0.009 0.000 1.040 124 T CA 1.589 63.682 62.100 -0.011 0.000 1.156 124 T CB -0.299 68.562 68.868 -0.011 0.000 0.863 124 T HN 0.464 nan 8.240 nan 0.000 0.430 125 A N 1.266 124.082 122.820 -0.007 0.000 1.948 125 A HA 0.011 4.335 4.320 0.007 0.000 0.220 125 A C 2.593 180.175 177.584 -0.003 0.000 1.177 125 A CA 2.104 54.139 52.037 -0.004 0.000 0.636 125 A CB -1.051 17.947 19.000 -0.003 0.000 0.815 125 A HN 0.548 nan 8.150 nan 0.000 0.449 126 A N -0.427 122.390 122.820 -0.006 0.000 1.898 126 A HA 0.047 4.371 4.320 0.007 0.000 0.216 126 A C 2.384 179.967 177.584 -0.002 0.000 1.181 126 A CA 2.008 54.041 52.037 -0.005 0.000 0.620 126 A CB -1.052 17.941 19.000 -0.011 0.000 0.819 126 A HN 1.227 nan 8.150 nan 0.000 0.442 127 V N -1.122 118.789 119.914 -0.004 0.000 2.488 127 V HA -0.117 4.007 4.120 0.007 0.000 0.246 127 V C 2.063 178.155 176.094 -0.003 0.000 1.046 127 V CA 2.361 64.659 62.300 -0.003 0.000 1.053 127 V CB -0.699 31.119 31.823 -0.009 0.000 0.679 127 V HN 0.499 nan 8.190 nan 0.000 0.458 128 K N 0.615 121.013 120.400 -0.005 0.000 2.059 128 K HA -0.215 4.109 4.320 0.007 0.000 0.212 128 K C 2.133 178.734 176.600 0.001 0.000 1.050 128 K CA 2.163 58.449 56.287 -0.003 0.000 0.927 128 K CB -0.545 31.953 32.500 -0.003 0.000 0.714 128 K HN 0.648 nan 8.250 nan 0.000 0.447 129 A N -0.191 122.632 122.820 0.004 0.000 2.119 129 A HA 0.118 4.442 4.320 0.007 0.000 0.216 129 A C 1.094 178.684 177.584 0.011 0.000 1.152 129 A CA 1.152 53.194 52.037 0.009 0.000 0.708 129 A CB -0.196 18.811 19.000 0.013 0.000 0.805 129 A HN 0.540 nan 8.150 nan 0.000 0.460 130 G N -0.614 108.192 108.800 0.010 0.000 2.370 130 G HA2 -0.130 3.835 3.960 0.007 0.000 0.268 130 G HA3 -0.130 3.835 3.960 0.007 0.000 0.268 130 G C 0.812 175.722 174.900 0.017 0.000 1.122 130 G CA 0.672 45.780 45.100 0.013 0.000 0.963 130 G HN 1.549 nan 8.290 nan 0.000 0.500 131 V N -2.396 117.528 119.914 0.016 0.000 2.548 131 V HA 0.398 4.522 4.120 0.007 0.000 0.249 131 V C 2.416 178.524 176.094 0.024 0.000 1.055 131 V CA 2.617 64.926 62.300 0.014 0.000 1.065 131 V CB -0.260 31.563 31.823 -0.000 0.000 0.681 131 V HN 2.465 nan 8.190 nan 0.000 0.462 132 G N 0.130 108.963 108.800 0.056 0.000 2.729 132 G HA2 -0.239 3.726 3.960 0.007 0.000 0.216 132 G HA3 -0.239 3.726 3.960 0.007 0.000 0.216 132 G C 0.029 175.138 174.900 0.348 0.000 1.252 132 G CA 0.374 45.548 45.100 0.123 0.000 0.751 132 G HN 0.832 nan 8.290 nan 0.000 0.527 133 H N 0.522 119.564 119.070 -0.047 0.000 2.466 133 H HA 0.777 5.337 4.556 0.007 0.000 0.338 133 H C 0.048 175.316 175.328 -0.100 0.000 1.091 133 H CA -0.720 55.288 56.048 -0.065 0.000 1.207 133 H CB 1.107 30.832 29.762 -0.063 0.000 1.466 133 H HN 0.429 nan 8.280 nan 0.000 0.493 134 I N 2.749 123.305 120.570 -0.023 0.000 2.465 134 I HA 0.234 4.408 4.170 0.007 0.000 0.291 134 I C -0.421 175.601 176.117 -0.158 0.000 1.014 134 I CA -1.122 60.118 61.300 -0.100 0.000 1.093 134 I CB 2.291 40.250 38.000 -0.070 0.000 1.267 134 I HN 0.180 nan 8.210 nan 0.000 0.431 135 V N 6.604 126.360 119.914 -0.263 0.000 2.334 135 V HA 0.186 4.310 4.120 0.007 0.000 0.267 135 V C 0.322 176.325 176.094 -0.152 0.000 1.040 135 V CA -0.684 61.454 62.300 -0.270 0.000 0.866 135 V CB 1.124 32.620 31.823 -0.544 0.000 1.019 135 V HN 0.531 nan 8.190 nan 0.000 0.468 136 V N 1.612 121.475 119.914 -0.085 0.000 2.785 136 V HA 0.552 4.676 4.120 0.007 0.000 0.300 136 V C 0.295 176.394 176.094 0.009 0.000 1.062 136 V CA 0.099 62.377 62.300 -0.036 0.000 1.029 136 V CB 1.683 33.482 31.823 -0.039 0.000 1.024 136 V HN 0.788 nan 8.190 nan 0.000 0.477 137 D N 0.991 121.412 120.400 0.035 0.000 2.399 137 D HA 0.194 4.838 4.640 0.007 0.000 0.269 137 D C 0.758 177.091 176.300 0.055 0.000 1.105 137 D CA 0.861 54.910 54.000 0.081 0.000 0.844 137 D CB 0.834 41.720 40.800 0.143 0.000 1.372 137 D HN 0.961 nan 8.370 nan 0.000 0.517 141 E N 1.164 121.365 120.200 0.000 0.000 2.110 141 E HA -0.046 4.308 4.350 0.007 0.000 0.193 141 E C 1.818 178.417 176.600 -0.002 0.000 0.988 141 E CA 1.277 57.676 56.400 -0.001 0.000 0.804 141 E CB -0.122 29.579 29.700 0.001 0.000 0.745 141 E HN 0.529 nan 8.360 nan 0.000 0.458 142 I N 1.181 121.750 120.570 -0.002 0.000 2.202 142 I HA -0.244 3.930 4.170 0.007 0.000 0.242 142 I C 2.320 178.442 176.117 0.009 0.000 1.091 142 I CA 0.898 62.197 61.300 -0.002 0.000 1.368 142 I CB -0.259 37.736 38.000 -0.008 0.000 1.058 142 I HN 0.065 nan 8.210 nan 0.000 0.410 143 E N 1.001 121.207 120.200 0.011 0.000 2.085 143 E HA -0.240 4.114 4.350 0.007 0.000 0.194 143 E C 2.256 178.867 176.600 0.018 0.000 0.994 143 E CA 1.314 57.724 56.400 0.018 0.000 0.801 143 E CB -0.410 29.298 29.700 0.014 0.000 0.743 143 E HN 0.508 nan 8.360 nan 0.000 0.453 144 R N 0.300 120.806 120.500 0.009 0.000 2.073 144 R HA 0.008 4.352 4.340 0.007 0.000 0.234 144 R C 2.609 178.912 176.300 0.004 0.000 1.134 144 R CA 0.759 56.862 56.100 0.005 0.000 0.952 144 R CB -0.323 29.977 30.300 0.000 0.000 0.850 144 R HN 0.152 nan 8.270 nan 0.000 0.433 145 L N 0.557 121.783 121.223 0.005 0.000 2.109 145 L HA -0.167 4.177 4.340 0.007 0.000 0.207 145 L C 1.748 178.628 176.870 0.017 0.000 1.086 145 L CA 1.482 56.325 54.840 0.004 0.000 0.760 145 L CB -0.308 41.750 42.059 -0.001 0.000 0.910 145 L HN 0.194 nan 8.230 nan 0.000 0.437 146 D N -0.150 120.274 120.400 0.040 0.000 2.092 146 D HA -0.217 4.427 4.640 0.007 0.000 0.193 146 D C 2.179 178.518 176.300 0.064 0.000 0.994 146 D CA 1.603 55.659 54.000 0.093 0.000 0.828 146 D CB 0.155 41.021 40.800 0.110 0.000 0.963 146 D HN 0.331 nan 8.370 nan 0.000 0.450 147 A N -0.039 122.801 122.820 0.033 0.000 1.917 147 A HA -0.181 4.143 4.320 0.007 0.000 0.219 147 A C 2.411 179.954 177.584 -0.067 0.000 1.182 147 A CA 1.492 53.522 52.037 -0.012 0.000 0.633 147 A CB -0.870 18.129 19.000 -0.001 0.000 0.819 147 A HN 0.412 nan 8.150 nan 0.000 0.448 148 I N -0.770 119.774 120.570 -0.044 0.000 2.353 148 I HA -0.178 3.996 4.170 0.007 0.000 0.248 148 I C 2.837 178.908 176.117 -0.078 0.000 1.119 148 I CA 0.937 62.206 61.300 -0.051 0.000 1.417 148 I CB -0.123 37.860 38.000 -0.028 0.000 1.078 148 I HN 0.344 nan 8.210 nan 0.000 0.421 149 A N 0.444 123.218 122.820 -0.078 0.000 1.970 149 A HA 0.001 4.325 4.320 0.007 0.000 0.216 149 A C 2.380 179.840 177.584 -0.206 0.000 1.170 149 A CA 1.405 53.394 52.037 -0.079 0.000 0.645 149 A CB -1.223 17.773 19.000 -0.006 0.000 0.816 149 A HN 0.427 nan 8.150 nan 0.000 0.447 150 G N -0.371 108.140 108.800 -0.482 0.000 2.433 150 G HA2 -0.265 3.699 3.960 0.007 0.000 0.216 150 G HA3 -0.265 3.699 3.960 0.007 0.000 0.216 150 G C 1.369 176.039 174.900 -0.383 0.000 1.186 150 G CA 1.021 45.546 45.100 -0.958 0.000 0.779 150 G HN 0.592 nan 8.290 nan 0.000 0.543 151 E N 0.110 120.166 120.200 -0.239 0.000 2.273 151 E HA -0.058 4.296 4.350 0.007 0.000 0.198 151 E C 2.224 178.769 176.600 -0.092 0.000 1.002 151 E CA 0.850 57.175 56.400 -0.125 0.000 0.828 151 E CB -0.095 29.555 29.700 -0.085 0.000 0.747 151 E HN 0.436 nan 8.360 nan 0.000 0.491 152 A N -1.174 121.588 122.820 -0.097 0.000 2.508 152 A HA 0.429 4.754 4.320 0.007 0.000 0.257 152 A C 1.273 178.831 177.584 -0.044 0.000 1.226 152 A CA 0.511 52.514 52.037 -0.057 0.000 0.947 152 A CB 0.464 19.438 19.000 -0.043 0.000 1.079 152 A HN 0.272 nan 8.150 nan 0.000 0.531 153 G N 0.030 108.796 108.800 -0.058 0.000 2.132 153 G HA2 -0.200 3.764 3.960 0.007 0.000 0.234 153 G HA3 -0.200 3.764 3.960 0.007 0.000 0.234 153 G C 0.161 175.064 174.900 0.004 0.000 0.989 153 G CA 0.458 45.544 45.100 -0.022 0.000 0.676 153 G HN 1.477 nan 8.290 nan 0.000 0.522 154 I N -3.233 117.339 120.570 0.002 0.000 3.206 154 I HA 0.886 5.060 4.170 0.007 0.000 0.313 154 I C -0.443 175.718 176.117 0.072 0.000 1.103 154 I CA -1.753 59.566 61.300 0.032 0.000 0.985 154 I CB 2.347 40.357 38.000 0.017 0.000 1.240 154 I HN -0.088 nan 8.210 nan 0.000 0.464 155 V N 2.728 122.682 119.914 0.067 0.000 2.326 155 V HA 0.283 4.407 4.120 0.007 0.000 0.281 155 V C -0.279 175.843 176.094 0.047 0.000 1.015 155 V CA -0.337 62.007 62.300 0.074 0.000 0.823 155 V CB 0.901 32.761 31.823 0.061 0.000 1.009 155 V HN 0.777 nan 8.190 nan 0.000 0.436 156 Q N 3.764 123.590 119.800 0.043 0.000 2.307 156 Q HA 0.196 4.540 4.340 0.007 0.000 0.261 156 Q C -0.167 175.832 176.000 -0.002 0.000 1.051 156 Q CA 0.024 55.840 55.803 0.022 0.000 0.911 156 Q CB 0.353 29.100 28.738 0.015 0.000 1.227 156 Q HN 0.684 nan 8.270 nan 0.000 0.418 157 D N 1.854 122.246 120.400 -0.012 0.000 2.419 157 D HA 0.235 4.879 4.640 0.007 0.000 0.236 157 D C -0.788 175.422 176.300 -0.151 0.000 1.165 157 D CA 0.345 54.290 54.000 -0.091 0.000 0.882 157 D CB 0.778 41.506 40.800 -0.120 0.000 1.201 157 D HN 0.319 nan 8.370 nan 0.000 0.443 158 V N 1.525 121.310 119.914 -0.216 0.000 3.023 158 V HA 0.282 4.406 4.120 0.007 0.000 0.294 158 V C -1.270 174.712 176.094 -0.187 0.000 1.324 158 V CA -0.725 61.474 62.300 -0.169 0.000 0.979 158 V CB 2.021 33.781 31.823 -0.104 0.000 1.093 158 V HN 0.271 nan 8.190 nan 0.000 0.434 159 L N 4.272 125.402 121.223 -0.155 0.000 2.341 159 L HA 0.802 5.146 4.340 0.007 0.000 0.267 159 L C -0.215 176.605 176.870 -0.082 0.000 1.009 159 L CA -0.662 54.112 54.840 -0.111 0.000 0.819 159 L CB 1.868 43.886 42.059 -0.067 0.000 1.323 159 L HN 0.526 nan 8.230 nan 0.000 0.425 160 V N 1.309 121.186 119.914 -0.063 0.000 2.547 160 V HA 0.639 4.763 4.120 0.007 0.000 0.299 160 V C -0.224 175.893 176.094 0.039 0.000 1.040 160 V CA -0.676 61.605 62.300 -0.031 0.000 0.913 160 V CB 1.623 33.408 31.823 -0.063 0.000 0.992 160 V HN 0.816 nan 8.190 nan 0.000 0.449 161 R N 5.212 125.760 120.500 0.079 0.000 2.254 161 R HA 0.633 4.977 4.340 0.007 0.000 0.318 161 R C -0.945 175.417 176.300 0.102 0.000 1.031 161 R CA -0.461 55.736 56.100 0.163 0.000 0.905 161 R CB 0.752 31.187 30.300 0.225 0.000 1.050 161 R HN 0.894 nan 8.270 nan 0.000 0.456 162 L N 2.451 123.718 121.223 0.072 0.000 2.334 162 L HA 0.498 4.842 4.340 0.007 0.000 0.270 162 L C -0.005 176.888 176.870 0.039 0.000 1.018 162 L CA -0.996 53.865 54.840 0.036 0.000 0.811 162 L CB 2.139 44.199 42.059 0.002 0.000 1.271 162 L HN 0.590 nan 8.230 nan 0.000 0.443 163 T N 0.832 115.409 114.554 0.038 0.000 2.809 163 T HA 0.291 4.645 4.350 0.007 0.000 0.296 163 T C 0.212 174.923 174.700 0.019 0.000 1.015 163 T CA -0.140 61.984 62.100 0.040 0.000 0.954 163 T CB 1.636 70.541 68.868 0.062 0.000 0.950 163 T HN 0.361 nan 8.240 nan 0.000 0.450 164 V N 2.915 122.828 119.914 -0.002 0.000 3.528 164 V HA 0.374 4.498 4.120 0.007 0.000 0.294 164 V C 1.434 177.518 176.094 -0.017 0.000 1.404 164 V CA 0.771 63.059 62.300 -0.019 0.000 1.065 164 V CB 0.259 32.056 31.823 -0.043 0.000 0.904 164 V HN 1.161 nan 8.190 nan 0.000 0.435 165 G N 0.714 109.512 108.800 -0.003 0.000 2.142 165 G HA2 -0.177 3.787 3.960 0.007 0.000 0.225 165 G HA3 -0.177 3.787 3.960 0.007 0.000 0.225 165 G C -0.088 174.810 174.900 -0.002 0.000 1.015 165 G CA 0.236 45.340 45.100 0.006 0.000 0.716 165 G HN 0.523 nan 8.290 nan 0.000 0.508 166 V N -0.004 119.887 119.914 -0.038 0.000 2.540 166 V HA 0.699 4.823 4.120 0.007 0.000 0.302 166 V C -0.006 176.051 176.094 -0.062 0.000 1.035 166 V CA -0.752 61.502 62.300 -0.076 0.000 0.873 166 V CB 2.038 33.724 31.823 -0.227 0.000 0.992 166 V HN 0.362 nan 8.190 nan 0.000 0.428 167 E N 2.835 123.040 120.200 0.008 0.000 2.216 167 E HA 0.732 5.087 4.350 0.007 0.000 0.260 167 E C -0.925 175.704 176.600 0.049 0.000 0.880 167 E CA -0.551 55.858 56.400 0.016 0.000 0.765 167 E CB 1.863 31.618 29.700 0.093 0.000 1.174 167 E HN 0.858 nan 8.360 nan 0.000 0.417 168 A N 5.047 127.795 122.820 -0.120 0.000 2.331 168 A HA 0.589 4.913 4.320 0.007 0.000 0.320 168 A C -1.208 176.199 177.584 -0.295 0.000 1.138 168 A CA -0.528 51.432 52.037 -0.129 0.000 0.790 168 A CB 0.828 19.635 19.000 -0.321 0.000 1.206 168 A HN 0.710 nan 8.150 nan 0.000 0.470 169 H N 1.555 120.535 119.070 -0.150 0.000 2.877 169 H HA 0.442 5.002 4.556 0.007 0.000 0.347 169 H C 0.141 175.288 175.328 -0.301 0.000 1.042 169 H CA 0.359 56.263 56.048 -0.240 0.000 1.276 169 H CB 1.843 31.484 29.762 -0.202 0.000 1.681 169 H HN 0.975 nan 8.280 nan 0.000 0.521 170 T N 0.628 114.903 114.554 -0.466 0.000 14.164 170 T HA -0.275 4.079 4.350 0.007 0.000 0.419 170 T C 0.676 175.116 174.700 -0.433 0.000 1.441 170 T CA 0.939 62.571 62.100 -0.779 0.000 2.332 170 T CB -0.930 67.635 68.868 -0.505 0.000 2.758 170 T HN 0.781 nan 8.240 nan 0.000 0.250 171 H N 4.227 123.319 119.070 0.038 0.000 2.550 171 H HA 0.470 5.030 4.556 0.007 0.000 0.304 171 H C 0.865 176.224 175.328 0.051 0.000 1.086 171 H CA 0.727 56.836 56.048 0.103 0.000 1.089 171 H CB -0.222 29.624 29.762 0.140 0.000 1.528 171 H HN 0.727 nan 8.280 nan 0.000 0.539 172 E N 0.013 120.268 120.200 0.092 0.000 2.445 172 E HA 0.451 4.805 4.350 0.007 0.000 0.279 172 E C -1.277 175.387 176.600 0.107 0.000 1.018 172 E CA -1.137 55.288 56.400 0.041 0.000 0.816 172 E CB 2.274 31.967 29.700 -0.012 0.000 1.356 172 E HN -0.009 nan 8.360 nan 0.000 0.462 173 F N -0.488 119.451 119.950 -0.017 0.000 2.643 173 F HA 0.746 5.277 4.527 0.007 0.000 0.314 173 F C -1.711 174.078 175.800 -0.020 0.000 1.096 173 F CA -1.283 56.696 58.000 -0.035 0.000 0.953 173 F CB 1.225 40.181 39.000 -0.074 0.000 1.345 173 F HN 0.411 nan 8.300 nan 0.000 0.468 174 I N 1.901 122.654 120.570 0.305 0.000 2.474 174 I HA 0.458 4.633 4.170 0.007 0.000 0.294 174 I C -0.703 175.570 176.117 0.261 0.000 1.005 174 I CA -0.851 60.554 61.300 0.174 0.000 1.113 174 I CB 2.088 40.143 38.000 0.091 0.000 1.289 174 I HN 0.752 nan 8.210 nan 0.000 0.436 175 S N 3.716 119.529 115.700 0.188 0.000 2.473 175 S HA 0.685 5.159 4.470 0.007 0.000 0.307 175 S C -0.601 174.036 174.600 0.061 0.000 1.094 175 S CA -0.277 58.010 58.200 0.145 0.000 1.070 175 S CB 1.241 64.549 63.200 0.180 0.000 1.019 175 S HN 0.620 nan 8.310 nan 0.000 0.480 176 T N 3.437 118.009 114.554 0.030 0.000 2.893 176 T HA 0.600 4.954 4.350 0.007 0.000 0.291 176 T C 1.297 175.959 174.700 -0.064 0.000 1.028 176 T CA -0.275 61.818 62.100 -0.011 0.000 0.995 176 T CB 1.578 70.451 68.868 0.009 0.000 1.051 176 T HN 0.683 nan 8.240 nan 0.000 0.470 177 A N 1.171 123.893 122.820 -0.162 0.000 1.883 177 A HA -0.081 4.243 4.320 0.007 0.000 0.217 177 A C 0.650 177.977 177.584 -0.429 0.000 1.186 177 A CA 1.331 53.135 52.037 -0.388 0.000 0.624 177 A CB -0.425 18.203 19.000 -0.619 0.000 0.822 177 A HN 0.818 nan 8.150 nan 0.000 0.444 178 H N -0.520 118.561 119.070 0.019 0.000 2.854 178 H HA 0.361 4.921 4.556 0.007 0.000 0.275 178 H C -1.014 174.325 175.328 0.018 0.000 1.198 178 H CA -0.793 55.264 56.048 0.016 0.000 1.489 178 H CB 0.161 29.930 29.762 0.012 0.000 1.519 178 H HN 0.574 nan 8.280 nan 0.000 0.503 179 E N 1.802 122.073 120.200 0.119 0.000 2.376 179 E HA -0.002 4.352 4.350 0.007 0.000 0.266 179 E C -0.485 176.161 176.600 0.077 0.000 1.009 179 E CA -0.049 56.400 56.400 0.081 0.000 0.902 179 E CB 0.671 30.411 29.700 0.066 0.000 0.972 179 E HN 0.383 nan 8.360 nan 0.000 0.439 180 D N 4.407 124.843 120.400 0.061 0.000 2.479 180 D HA 0.139 4.783 4.640 0.007 0.000 0.247 180 D C -1.244 175.074 176.300 0.030 0.000 1.119 180 D CA -0.225 53.800 54.000 0.042 0.000 0.922 180 D CB 0.118 40.941 40.800 0.038 0.000 1.014 180 D HN 0.465 nan 8.370 nan 0.000 0.510 181 Q N 0.845 120.660 119.800 0.025 0.000 2.687 181 Q HA 0.264 4.608 4.340 0.007 0.000 0.295 181 Q C 0.143 176.129 176.000 -0.023 0.000 0.920 181 Q CA -1.003 54.809 55.803 0.014 0.000 0.766 181 Q CB 0.917 29.694 28.738 0.065 0.000 1.467 181 Q HN -0.009 nan 8.270 nan 0.000 0.415 182 K N -0.114 120.218 120.400 -0.114 0.000 2.228 182 K HA 0.103 4.428 4.320 0.007 0.000 0.202 182 K C -0.436 176.029 176.600 -0.225 0.000 1.051 182 K CA 0.439 56.591 56.287 -0.224 0.000 0.960 182 K CB 0.001 32.275 32.500 -0.376 0.000 0.743 182 K HN 0.333 nan 8.250 nan 0.000 0.458 183 F N 1.924 121.878 119.950 0.007 0.000 2.382 183 F HA 0.417 4.948 4.527 0.007 0.000 0.331 183 F C 1.303 177.119 175.800 0.028 0.000 1.121 183 F CA 0.955 58.966 58.000 0.019 0.000 1.183 183 F CB 0.975 39.988 39.000 0.022 0.000 1.207 183 F HN 0.458 nan 8.300 nan 0.000 0.555 184 G N 1.409 110.364 108.800 0.259 0.000 2.756 184 G HA2 -0.108 3.856 3.960 0.007 0.000 0.678 184 G HA3 -0.108 3.856 3.960 0.007 0.000 0.678 184 G C -1.801 173.155 174.900 0.093 0.000 1.349 184 G CA -1.088 44.110 45.100 0.163 0.000 0.847 184 G HN 0.696 nan 8.290 nan 0.000 0.548 185 L N 0.423 121.685 121.223 0.066 0.000 2.381 185 L HA 0.595 4.939 4.340 0.007 0.000 0.274 185 L C 0.872 177.763 176.870 0.036 0.000 0.988 185 L CA -0.701 54.163 54.840 0.041 0.000 0.824 185 L CB 2.091 44.164 42.059 0.025 0.000 1.263 185 L HN 0.829 nan 8.230 nan 0.000 0.410 186 S N 1.486 117.208 115.700 0.036 0.000 2.525 186 S HA 0.115 4.589 4.470 0.007 0.000 0.285 186 S C 1.139 175.757 174.600 0.031 0.000 1.283 186 S CA -0.558 57.667 58.200 0.042 0.000 1.072 186 S CB 0.955 64.188 63.200 0.055 0.000 0.867 186 S HN 0.406 nan 8.310 nan 0.000 0.492 187 V N 6.101 126.029 119.914 0.023 0.000 2.270 187 V HA -0.125 3.999 4.120 0.007 0.000 0.245 187 V C 2.742 178.849 176.094 0.022 0.000 1.043 187 V CA 2.219 64.526 62.300 0.012 0.000 1.014 187 V CB -1.396 30.423 31.823 -0.007 0.000 0.645 187 V HN 1.014 nan 8.190 nan 0.000 0.447 188 A N 0.527 123.368 122.820 0.034 0.000 1.986 188 A HA -0.233 4.092 4.320 0.007 0.000 0.220 188 A C 2.476 180.100 177.584 0.067 0.000 1.171 188 A CA 2.403 54.470 52.037 0.050 0.000 0.640 188 A CB -0.642 18.398 19.000 0.066 0.000 0.811 188 A HN 0.705 nan 8.150 nan 0.000 0.451 189 S N -2.428 113.311 115.700 0.065 0.000 2.496 189 S HA 0.358 4.832 4.470 0.007 0.000 0.224 189 S C 1.519 176.138 174.600 0.031 0.000 0.996 189 S CA 1.195 59.425 58.200 0.050 0.000 0.927 189 S CB -0.121 63.098 63.200 0.031 0.000 0.774 189 S HN 1.944 nan 8.310 nan 0.000 0.524 190 G N 0.474 109.291 108.800 0.029 0.000 2.176 190 G HA2 -0.207 3.757 3.960 0.007 0.000 0.232 190 G HA3 -0.207 3.757 3.960 0.007 0.000 0.232 190 G C 1.002 175.914 174.900 0.020 0.000 0.986 190 G CA 0.200 45.314 45.100 0.024 0.000 0.643 190 G HN 1.189 nan 8.290 nan 0.000 0.522 191 A N 0.255 123.085 122.820 0.017 0.000 1.969 191 A HA 0.645 4.969 4.320 0.007 0.000 0.218 191 A C 2.057 179.646 177.584 0.009 0.000 1.169 191 A CA 2.004 54.049 52.037 0.013 0.000 0.635 191 A CB -0.509 18.499 19.000 0.013 0.000 0.810 191 A HN 2.109 nan 8.150 nan 0.000 0.445 195 A N 0.213 123.022 122.820 -0.019 0.000 1.930 195 A HA 0.201 4.525 4.320 0.007 0.000 0.217 195 A C 1.995 179.514 177.584 -0.109 0.000 1.175 195 A CA 2.037 54.045 52.037 -0.047 0.000 0.627 195 A CB -0.750 18.224 19.000 -0.044 0.000 0.815 195 A HN 0.808 nan 8.150 nan 0.000 0.443 196 V N 0.148 119.974 119.914 -0.146 0.000 2.343 196 V HA -0.250 3.874 4.120 0.007 0.000 0.247 196 V C 2.663 178.561 176.094 -0.326 0.000 1.051 196 V CA 2.128 64.230 62.300 -0.331 0.000 1.036 196 V CB -0.778 30.864 31.823 -0.302 0.000 0.654 196 V HN 0.508 nan 8.190 nan 0.000 0.451 197 R N -0.252 120.220 120.500 -0.047 0.000 2.062 197 R HA -0.161 4.183 4.340 0.007 0.000 0.231 197 R C 2.510 178.872 176.300 0.103 0.000 1.136 197 R CA 1.535 57.730 56.100 0.158 0.000 0.948 197 R CB -0.434 30.000 30.300 0.223 0.000 0.845 197 R HN 0.255 nan 8.270 nan 0.000 0.430 198 R N 0.863 121.383 120.500 0.034 0.000 2.105 198 R HA -0.108 4.236 4.340 0.007 0.000 0.239 198 R C 1.937 178.242 176.300 0.009 0.000 1.135 198 R CA 1.381 57.497 56.100 0.028 0.000 0.967 198 R CB -0.554 29.750 30.300 0.007 0.000 0.861 198 R HN 0.069 nan 8.270 nan 0.000 0.442 199 V N -0.231 119.646 119.914 -0.061 0.000 2.535 199 V HA -0.097 4.027 4.120 0.007 0.000 0.246 199 V C 1.891 177.999 176.094 0.024 0.000 1.045 199 V CA 1.157 63.416 62.300 -0.067 0.000 1.058 199 V CB -0.592 31.132 31.823 -0.165 0.000 0.689 199 V HN 0.134 nan 8.190 nan 0.000 0.461 200 F N 1.420 121.300 119.950 -0.117 0.000 2.126 200 F HA -0.202 4.329 4.527 0.006 0.000 0.299 200 F C 2.484 178.253 175.800 -0.052 0.000 1.096 200 F CA 1.231 59.141 58.000 -0.150 0.000 1.255 200 F CB -1.330 37.465 39.000 -0.341 0.000 0.997 200 F HN 0.149 nan 8.300 nan 0.000 0.479 201 A N -0.445 122.496 122.820 0.202 0.000 1.933 201 A HA -0.124 4.200 4.320 0.007 0.000 0.218 201 A C 1.429 179.044 177.584 0.051 0.000 1.175 201 A CA 1.371 53.481 52.037 0.122 0.000 0.628 201 A CB -1.500 17.568 19.000 0.114 0.000 0.814 201 A HN 0.392 nan 8.150 nan 0.000 0.444 202 T N -2.131 112.443 114.554 0.033 0.000 2.855 202 T HA 0.171 4.526 4.350 0.007 0.000 0.314 202 T C 0.243 174.893 174.700 -0.084 0.000 1.077 202 T CA 0.276 62.364 62.100 -0.019 0.000 1.095 202 T CB 0.599 69.469 68.868 0.004 0.000 0.987 202 T HN 0.252 nan 8.240 nan 0.000 0.546 203 D N -0.411 119.844 120.400 -0.241 0.000 2.213 203 D HA -0.021 4.623 4.640 0.007 0.000 0.205 203 D C 1.566 177.624 176.300 -0.404 0.000 0.961 203 D CA 1.037 54.777 54.000 -0.433 0.000 0.853 203 D CB -0.002 40.291 40.800 -0.846 0.000 0.967 203 D HN 0.689 nan 8.370 nan 0.000 0.496 204 H N -0.942 118.137 119.070 0.015 0.000 2.874 204 H HA 0.217 4.777 4.556 0.007 0.000 0.264 204 H C 0.107 175.438 175.328 0.005 0.000 1.007 204 H CA -0.135 55.918 56.048 0.009 0.000 1.207 204 H CB 1.197 30.963 29.762 0.006 0.000 1.487 204 H HN -0.003 nan 8.280 nan 0.000 0.505 205 L N 0.736 122.005 121.223 0.077 0.000 2.334 205 L HA 0.422 4.767 4.340 0.007 0.000 0.273 205 L C 0.467 177.353 176.870 0.027 0.000 1.013 205 L CA -0.762 54.102 54.840 0.039 0.000 0.816 205 L CB 1.970 44.038 42.059 0.015 0.000 1.278 205 L HN -0.067 nan 8.230 nan 0.000 0.431 206 R N 1.630 122.137 120.500 0.010 0.000 2.360 206 R HA 0.540 4.884 4.340 0.007 0.000 0.318 206 R C -1.125 175.162 176.300 -0.022 0.000 0.950 206 R CA -0.883 55.227 56.100 0.017 0.000 0.837 206 R CB 1.229 31.538 30.300 0.015 0.000 1.165 206 R HN 0.497 nan 8.270 nan 0.000 0.458 207 L N 5.165 126.386 121.223 -0.004 0.000 2.367 207 L HA 0.177 4.521 4.340 0.007 0.000 0.275 207 L C -0.177 176.664 176.870 -0.048 0.000 1.129 207 L CA 0.640 55.419 54.840 -0.101 0.000 0.839 207 L CB 1.631 43.496 42.059 -0.323 0.000 1.133 207 L HN 0.605 nan 8.230 nan 0.000 0.453 208 V N 3.713 123.568 119.914 -0.099 0.000 3.356 208 V HA 0.582 4.706 4.120 0.007 0.000 0.274 208 V C 0.441 176.494 176.094 -0.069 0.000 1.631 208 V CA 0.492 62.742 62.300 -0.083 0.000 1.025 208 V CB 0.555 32.275 31.823 -0.173 0.000 0.840 208 V HN 0.977 nan 8.190 nan 0.000 0.419 209 G N -0.172 108.579 108.800 -0.082 0.000 2.441 209 G HA2 0.563 4.527 3.960 0.007 0.000 0.294 209 G HA3 0.563 4.527 3.960 0.007 0.000 0.294 209 G C -2.159 172.715 174.900 -0.044 0.000 1.393 209 G CA -0.583 44.491 45.100 -0.044 0.000 0.796 209 G HN 0.032 nan 8.290 nan 0.000 0.494 210 L N 0.590 121.811 121.223 -0.003 0.000 2.401 210 L HA 0.593 4.937 4.340 0.007 0.000 0.266 210 L C -0.754 176.167 176.870 0.085 0.000 0.991 210 L CA -1.037 53.812 54.840 0.015 0.000 0.818 210 L CB 2.667 44.720 42.059 -0.010 0.000 1.321 210 L HN 0.748 nan 8.230 nan 0.000 0.413 211 H N 1.578 120.644 119.070 -0.007 0.000 2.589 211 H HA 0.527 5.087 4.556 0.007 0.000 0.351 211 H C -1.776 173.568 175.328 0.027 0.000 1.074 211 H CA -0.155 55.906 56.048 0.022 0.000 1.203 211 H CB 2.338 32.131 29.762 0.053 0.000 1.558 211 H HN 0.566 nan 8.280 nan 0.000 0.522 212 S N 3.304 118.679 115.700 -0.540 0.000 2.536 212 S HA 0.348 4.822 4.470 0.007 0.000 0.287 212 S C -1.680 172.618 174.600 -0.503 0.000 1.101 212 S CA -0.579 57.377 58.200 -0.406 0.000 0.950 212 S CB 1.168 64.262 63.200 -0.177 0.000 1.056 212 S HN 0.853 nan 8.310 nan 0.000 0.481 213 H N 3.102 121.932 119.070 -0.399 0.000 2.759 213 H HA 0.599 5.159 4.556 0.007 0.000 0.354 213 H C 0.409 175.617 175.328 -0.200 0.000 1.074 213 H CA -0.643 55.242 56.048 -0.272 0.000 1.226 213 H CB 1.085 30.702 29.762 -0.242 0.000 1.648 213 H HN 0.612 nan 8.280 nan 0.000 0.529 214 I N 1.354 121.692 120.570 -0.387 0.000 4.439 214 I HA 0.688 4.862 4.170 0.007 0.000 0.331 214 I C 0.561 176.468 176.117 -0.350 0.000 1.345 214 I CA 0.275 61.398 61.300 -0.294 0.000 1.193 214 I CB 1.003 38.770 38.000 -0.389 0.000 1.221 214 I HN 0.702 nan 8.210 nan 0.000 0.429 215 G N 1.657 110.154 108.800 -0.506 0.000 2.455 215 G HA2 0.370 4.334 3.960 0.007 0.000 0.223 215 G HA3 0.370 4.334 3.960 0.007 0.000 0.223 215 G C -1.351 173.248 174.900 -0.501 0.000 1.226 215 G CA 0.169 44.964 45.100 -0.510 0.000 0.948 215 G HN 0.554 nan 8.290 nan 0.000 0.478 216 S N -1.298 114.003 115.700 -0.665 0.000 2.579 216 S HA 0.589 5.063 4.470 0.007 0.000 0.272 216 S C -0.359 174.033 174.600 -0.347 0.000 1.141 216 S CA 0.273 58.259 58.200 -0.356 0.000 0.843 216 S CB 2.145 65.226 63.200 -0.199 0.000 1.122 216 S HN 1.447 nan 8.310 nan 0.000 0.468 217 Q N 0.175 119.859 119.800 -0.195 0.000 2.452 217 Q HA -0.143 4.201 4.340 0.007 0.000 0.318 217 Q C -0.854 174.812 176.000 -0.556 0.000 1.386 217 Q CA 0.766 56.402 55.803 -0.278 0.000 0.872 217 Q CB -1.737 26.821 28.738 -0.301 0.000 1.151 217 Q HN 0.793 nan 8.270 nan 0.000 0.417 218 I N 0.608 121.023 120.570 -0.257 0.000 2.325 218 I HA 0.106 4.280 4.170 0.007 0.000 0.291 218 I C 0.999 177.186 176.117 0.117 0.000 1.019 218 I CA -0.246 60.934 61.300 -0.200 0.000 1.302 218 I CB 0.316 38.215 38.000 -0.169 0.000 1.401 218 I HN -0.006 nan 8.210 nan 0.000 0.485 219 F N 2.447 122.394 119.950 -0.004 0.000 2.720 219 F HA 0.228 4.758 4.527 0.006 0.000 0.301 219 F C 0.590 176.517 175.800 0.212 0.000 1.103 219 F CA -0.359 57.673 58.000 0.054 0.000 1.291 219 F CB -0.170 38.715 39.000 -0.193 0.000 1.086 219 F HN 0.331 nan 8.300 nan 0.000 0.592 220 D N -0.841 119.788 120.400 0.382 0.000 2.419 220 D HA 0.190 4.834 4.640 0.007 0.000 0.234 220 D C 0.946 177.428 176.300 0.304 0.000 1.014 220 D CA -0.337 53.858 54.000 0.326 0.000 0.919 220 D CB 3.027 44.011 40.800 0.307 0.000 1.366 220 D HN -0.209 nan 8.370 nan 0.000 0.490 221 V N 1.126 121.206 119.914 0.276 0.000 2.809 221 V HA -0.176 3.948 4.120 0.007 0.000 0.256 221 V C 1.011 177.245 176.094 0.234 0.000 1.080 221 V CA 1.566 64.052 62.300 0.310 0.000 1.102 221 V CB -0.250 31.685 31.823 0.187 0.000 0.705 221 V HN 0.395 nan 8.190 nan 0.000 0.475 222 D N 0.739 121.261 120.400 0.203 0.000 2.149 222 D HA -0.171 4.473 4.640 0.007 0.000 0.194 222 D C 2.086 178.399 176.300 0.023 0.000 1.001 222 D CA 1.744 55.873 54.000 0.215 0.000 0.849 222 D CB -0.590 40.416 40.800 0.344 0.000 0.939 222 D HN 0.540 nan 8.370 nan 0.000 0.449 223 G N -0.504 108.202 108.800 -0.156 0.000 2.394 223 G HA2 -0.214 3.750 3.960 0.007 0.000 0.214 223 G HA3 -0.214 3.750 3.960 0.007 0.000 0.214 223 G C 1.363 175.949 174.900 -0.523 0.000 1.176 223 G CA 0.143 44.794 45.100 -0.748 0.000 0.786 223 G HN 0.186 nan 8.290 nan 0.000 0.533 224 F N 1.235 121.062 119.950 -0.205 0.000 2.161 224 F HA -0.040 4.490 4.527 0.006 0.000 0.300 224 F C 2.519 178.248 175.800 -0.117 0.000 1.089 224 F CA 1.531 59.444 58.000 -0.145 0.000 1.282 224 F CB -0.269 38.685 39.000 -0.075 0.000 1.010 224 F HN 0.286 nan 8.300 nan 0.000 0.485 225 E N 0.421 120.675 120.200 0.089 0.000 2.028 225 E HA -0.231 4.123 4.350 0.007 0.000 0.191 225 E C 2.235 178.848 176.600 0.021 0.000 0.988 225 E CA 1.111 57.549 56.400 0.064 0.000 0.799 225 E CB -0.324 29.413 29.700 0.061 0.000 0.755 225 E HN 0.302 nan 8.360 nan 0.000 0.447 226 L N 1.063 122.238 121.223 -0.080 0.000 2.046 226 L HA -0.091 4.253 4.340 0.007 0.000 0.208 226 L C 2.275 179.129 176.870 -0.026 0.000 1.077 226 L CA 2.205 57.011 54.840 -0.055 0.000 0.747 226 L CB -0.832 41.102 42.059 -0.208 0.000 0.896 226 L HN 0.220 nan 8.230 nan 0.000 0.432 227 A N -0.330 122.419 122.820 -0.118 0.000 1.865 227 A HA -0.157 4.167 4.320 0.007 0.000 0.217 227 A C 2.474 180.051 177.584 -0.012 0.000 1.191 227 A CA 2.146 54.135 52.037 -0.081 0.000 0.623 227 A CB -1.314 17.616 19.000 -0.116 0.000 0.826 227 A HN 0.584 nan 8.150 nan 0.000 0.444 228 A N -1.036 121.804 122.820 0.033 0.000 1.933 228 A HA -0.181 4.143 4.320 0.007 0.000 0.218 228 A C 2.007 179.628 177.584 0.062 0.000 1.175 228 A CA 2.224 54.288 52.037 0.046 0.000 0.628 228 A CB -0.924 18.115 19.000 0.065 0.000 0.814 228 A HN 0.796 nan 8.150 nan 0.000 0.444 229 H N -0.197 118.868 119.070 -0.009 0.000 2.289 229 H HA -0.147 4.412 4.556 0.005 0.000 0.296 229 H C 2.192 177.518 175.328 -0.004 0.000 1.091 229 H CA 2.387 58.433 56.048 -0.003 0.000 1.274 229 H CB -0.179 29.581 29.762 -0.003 0.000 1.364 229 H HN 0.379 nan 8.280 nan 0.000 0.490 230 R N -0.523 119.880 120.500 -0.161 0.000 2.066 230 R HA -0.048 4.297 4.340 0.007 0.000 0.232 230 R C 2.693 178.907 176.300 -0.142 0.000 1.131 230 R CA 1.246 57.219 56.100 -0.212 0.000 0.955 230 R CB -0.504 29.741 30.300 -0.093 0.000 0.851 230 R HN 0.227 nan 8.270 nan 0.000 0.432 231 V N 0.783 120.649 119.914 -0.079 0.000 2.343 231 V HA -0.221 3.903 4.120 0.007 0.000 0.247 231 V C 2.041 178.107 176.094 -0.047 0.000 1.051 231 V CA 1.709 63.978 62.300 -0.052 0.000 1.036 231 V CB -0.361 31.443 31.823 -0.032 0.000 0.654 231 V HN 0.326 nan 8.190 nan 0.000 0.451 232 I N 0.327 120.870 120.570 -0.046 0.000 2.876 232 I HA -0.019 4.155 4.170 0.007 0.000 0.264 232 I C 2.499 178.589 176.117 -0.045 0.000 1.204 232 I CA 1.124 62.410 61.300 -0.023 0.000 1.485 232 I CB -0.890 37.116 38.000 0.011 0.000 1.103 232 I HN 0.406 nan 8.210 nan 0.000 0.446 233 G N 1.515 110.245 108.800 -0.117 0.000 2.422 233 G HA2 -0.215 3.749 3.960 0.007 0.000 0.218 233 G HA3 -0.215 3.749 3.960 0.007 0.000 0.218 233 G C 1.719 176.582 174.900 -0.061 0.000 1.146 233 G CA 0.225 45.249 45.100 -0.126 0.000 0.769 233 G HN 0.275 nan 8.290 nan 0.000 0.547 234 L N 0.033 121.224 121.223 -0.053 0.000 2.017 234 L HA -0.011 4.333 4.340 0.007 0.000 0.208 234 L C 2.904 179.776 176.870 0.003 0.000 1.073 234 L CA 1.169 55.996 54.840 -0.021 0.000 0.745 234 L CB -0.299 41.744 42.059 -0.026 0.000 0.894 234 L HN 0.223 nan 8.230 nan 0.000 0.432 235 L N -0.443 120.780 121.223 0.001 0.000 2.089 235 L HA -0.316 4.028 4.340 0.007 0.000 0.213 235 L C 2.859 179.756 176.870 0.044 0.000 1.079 235 L CA 1.474 56.329 54.840 0.024 0.000 0.758 235 L CB -0.599 41.472 42.059 0.021 0.000 0.891 235 L HN 0.357 nan 8.230 nan 0.000 0.433 236 R N 0.200 120.716 120.500 0.028 0.000 2.070 236 R HA -0.191 4.153 4.340 0.007 0.000 0.233 236 R C 1.909 178.239 176.300 0.050 0.000 1.137 236 R CA 2.024 58.145 56.100 0.036 0.000 0.945 236 R CB -0.262 30.050 30.300 0.021 0.000 0.845 236 R HN 0.331 nan 8.270 nan 0.000 0.430 237 D N -0.025 120.400 120.400 0.042 0.000 2.191 237 D HA -0.174 4.470 4.640 0.007 0.000 0.195 237 D C 1.873 178.239 176.300 0.110 0.000 1.003 237 D CA 1.488 55.524 54.000 0.060 0.000 0.867 237 D CB -0.159 40.671 40.800 0.050 0.000 0.926 237 D HN 0.163 nan 8.370 nan 0.000 0.450 238 V N 0.460 120.454 119.914 0.134 0.000 2.407 238 V HA -0.139 3.986 4.120 0.007 0.000 0.245 238 V C 2.537 178.787 176.094 0.259 0.000 1.041 238 V CA 0.974 63.420 62.300 0.243 0.000 1.040 238 V CB -0.540 31.401 31.823 0.196 0.000 0.671 238 V HN 0.079 nan 8.190 nan 0.000 0.455 239 V N 1.692 121.702 119.914 0.160 0.000 2.324 239 V HA -0.258 3.866 4.120 0.007 0.000 0.250 239 V C 2.506 178.664 176.094 0.107 0.000 1.060 239 V CA 2.646 65.023 62.300 0.128 0.000 1.042 239 V CB -1.105 30.766 31.823 0.081 0.000 0.650 239 V HN 0.554 nan 8.190 nan 0.000 0.450 240 G N -0.985 107.867 108.800 0.087 0.000 2.556 240 G HA2 -0.321 3.644 3.960 0.007 0.000 0.220 240 G HA3 -0.321 3.644 3.960 0.007 0.000 0.220 240 G C 1.444 176.357 174.900 0.021 0.000 1.156 240 G CA 1.408 46.538 45.100 0.051 0.000 0.766 240 G HN 0.662 nan 8.290 nan 0.000 0.583 241 E N -1.250 118.972 120.200 0.036 0.000 2.206 241 E HA 0.175 4.529 4.350 0.007 0.000 0.195 241 E C 1.778 178.224 176.600 -0.257 0.000 0.935 241 E CA 0.132 56.443 56.400 -0.149 0.000 0.875 241 E CB 0.136 29.696 29.700 -0.234 0.000 0.841 241 E HN 0.505 nan 8.360 nan 0.000 0.477 242 F N 0.290 120.264 119.950 0.039 0.000 2.720 242 F HA 0.305 4.835 4.527 0.005 0.000 0.301 242 F C 0.946 176.731 175.800 -0.025 0.000 1.103 242 F CA 0.458 58.457 58.000 -0.001 0.000 1.291 242 F CB 1.411 40.416 39.000 0.007 0.000 1.086 242 F HN -0.001 nan 8.300 nan 0.000 0.592 243 G N 0.844 109.730 108.800 0.144 0.000 2.690 243 G HA2 -0.153 3.811 3.960 0.007 0.000 0.686 243 G HA3 -0.153 3.811 3.960 0.007 0.000 0.686 243 G C -2.319 172.634 174.900 0.089 0.000 1.277 243 G CA -0.857 44.291 45.100 0.081 0.000 0.799 243 G HN -0.056 nan 8.290 nan 0.000 0.613 244 P HA 0.009 nan 4.420 nan 0.000 0.217 244 P C 1.523 178.848 177.300 0.042 0.000 1.150 244 P CA 1.661 64.792 63.100 0.053 0.000 0.832 244 P CB 0.155 31.878 31.700 0.038 0.000 0.787 245 E N -0.315 119.902 120.200 0.028 0.000 2.072 245 E HA -0.130 4.224 4.350 0.007 0.000 0.191 245 E C 2.040 178.640 176.600 0.001 0.000 0.985 245 E CA 0.992 57.399 56.400 0.012 0.000 0.801 245 E CB -0.607 29.095 29.700 0.002 0.000 0.750 245 E HN 0.079 nan 8.360 nan 0.000 0.452 246 K N 0.148 120.541 120.400 -0.011 0.000 2.097 246 K HA -0.081 4.243 4.320 0.007 0.000 0.205 246 K C 2.185 178.772 176.600 -0.021 0.000 1.050 246 K CA 1.701 57.938 56.287 -0.084 0.000 0.938 246 K CB -0.337 32.056 32.500 -0.179 0.000 0.718 246 K HN 0.370 nan 8.250 nan 0.000 0.442 247 T N -1.780 112.812 114.554 0.063 0.000 3.035 247 T HA 0.055 4.410 4.350 0.007 0.000 0.268 247 T C 1.907 176.660 174.700 0.087 0.000 1.109 247 T CA 0.934 63.109 62.100 0.125 0.000 1.119 247 T CB 0.003 68.956 68.868 0.142 0.000 0.900 247 T HN 0.124 nan 8.240 nan 0.000 0.503 248 A N 1.725 124.578 122.820 0.056 0.000 2.019 248 A HA -0.148 4.176 4.320 0.007 0.000 0.219 248 A C 2.430 180.042 177.584 0.047 0.000 1.164 248 A CA 1.691 53.755 52.037 0.045 0.000 0.644 248 A CB -0.923 18.096 19.000 0.032 0.000 0.805 248 A HN 0.749 nan 8.150 nan 0.000 0.449 249 Q N 0.159 119.990 119.800 0.052 0.000 2.234 249 Q HA -0.098 4.246 4.340 0.007 0.000 0.206 249 Q C 0.434 176.473 176.000 0.065 0.000 0.980 249 Q CA 0.953 56.791 55.803 0.057 0.000 0.869 249 Q CB -0.372 28.401 28.738 0.058 0.000 0.912 249 Q HN 0.659 nan 8.270 nan 0.000 0.436 250 I N 1.975 122.593 120.570 0.080 0.000 2.532 250 I HA -0.008 4.166 4.170 0.007 0.000 0.302 250 I C 0.846 176.980 176.117 0.028 0.000 1.176 250 I CA -0.000 61.321 61.300 0.036 0.000 1.975 250 I CB -0.061 37.954 38.000 0.025 0.000 1.536 250 I HN 0.229 nan 8.210 nan 0.000 0.919 251 A N 3.051 125.888 122.820 0.028 0.000 2.195 251 A HA 0.153 4.477 4.320 0.007 0.000 0.210 251 A C 0.996 178.603 177.584 0.037 0.000 1.165 251 A CA 0.473 52.531 52.037 0.036 0.000 0.806 251 A CB 0.174 19.199 19.000 0.042 0.000 0.847 251 A HN 0.455 nan 8.150 nan 0.000 0.482 252 T N 0.259 114.833 114.554 0.033 0.000 2.840 252 T HA 0.463 4.817 4.350 0.007 0.000 0.287 252 T C -1.019 173.697 174.700 0.027 0.000 0.991 252 T CA -0.218 61.906 62.100 0.040 0.000 0.964 252 T CB 1.587 70.498 68.868 0.071 0.000 0.954 252 T HN -0.124 nan 8.240 nan 0.000 0.438 253 V N 4.317 124.243 119.914 0.020 0.000 2.318 253 V HA 0.284 4.408 4.120 0.007 0.000 0.271 253 V C -0.094 176.000 176.094 -0.001 0.000 1.030 253 V CA -0.707 61.599 62.300 0.010 0.000 0.844 253 V CB 1.122 32.949 31.823 0.006 0.000 1.015 253 V HN 0.782 nan 8.190 nan 0.000 0.460 254 D N 4.907 125.320 120.400 0.022 0.000 2.317 254 D HA 0.250 4.894 4.640 0.007 0.000 0.234 254 D C 0.572 176.854 176.300 -0.030 0.000 1.112 254 D CA -0.187 53.824 54.000 0.020 0.000 0.840 254 D CB 1.560 42.458 40.800 0.163 0.000 1.078 254 D HN 0.421 nan 8.370 nan 0.000 0.486 255 L N 3.411 124.586 121.223 -0.082 0.000 2.629 255 L HA 0.286 4.630 4.340 0.007 0.000 0.230 255 L C 1.444 178.272 176.870 -0.071 0.000 1.151 255 L CA 0.106 54.903 54.840 -0.072 0.000 0.924 255 L CB -0.644 41.390 42.059 -0.042 0.000 1.137 255 L HN 0.700 nan 8.230 nan 0.000 0.457 256 G N -0.095 108.654 108.800 -0.084 0.000 2.584 256 G HA2 -0.163 3.801 3.960 0.007 0.000 0.229 256 G HA3 -0.163 3.801 3.960 0.007 0.000 0.229 256 G C 0.109 174.998 174.900 -0.019 0.000 1.320 256 G CA -0.487 44.606 45.100 -0.012 0.000 0.891 256 G HN 0.384 nan 8.290 nan 0.000 0.573 257 G N -2.738 106.027 108.800 -0.059 0.000 2.940 257 G HA2 0.704 4.668 3.960 0.007 0.000 0.164 257 G HA3 0.704 4.668 3.960 0.007 0.000 0.164 257 G C 1.555 176.392 174.900 -0.106 0.000 1.326 257 G CA 1.257 46.335 45.100 -0.036 0.000 1.020 257 G HN 2.643 nan 8.290 nan 0.000 0.586 258 G N -1.813 106.958 108.800 -0.049 0.000 2.199 258 G HA2 -0.167 3.797 3.960 0.007 0.000 0.254 258 G HA3 -0.167 3.797 3.960 0.007 0.000 0.254 258 G C 0.424 175.359 174.900 0.059 0.000 0.982 258 G CA 0.295 45.353 45.100 -0.069 0.000 0.632 258 G HN 0.793 nan 8.290 nan 0.000 0.529 259 L N 1.490 122.792 121.223 0.131 0.000 2.667 259 L HA 0.395 4.739 4.340 0.007 0.000 0.296 259 L C 1.495 178.463 176.870 0.164 0.000 1.252 259 L CA 1.292 56.231 54.840 0.164 0.000 0.891 259 L CB -0.101 42.034 42.059 0.126 0.000 1.141 259 L HN 0.467 nan 8.230 nan 0.000 0.501 260 G N 4.370 113.311 108.800 0.235 0.000 2.437 260 G HA2 0.669 4.633 3.960 0.007 0.000 0.319 260 G HA3 0.669 4.633 3.960 0.007 0.000 0.319 260 G C -0.548 174.507 174.900 0.259 0.000 1.158 260 G CA -0.504 44.799 45.100 0.338 0.000 0.899 260 G HN 0.792 nan 8.290 nan 0.000 0.502 261 I N -2.442 118.280 120.570 0.253 0.000 3.322 261 I HA 0.743 4.917 4.170 0.007 0.000 0.313 261 I C -0.485 175.674 176.117 0.069 0.000 1.129 261 I CA -1.127 60.214 61.300 0.068 0.000 0.963 261 I CB 2.256 40.210 38.000 -0.078 0.000 1.273 261 I HN 0.279 nan 8.210 nan 0.000 0.473 262 S N 1.138 116.803 115.700 -0.058 0.000 2.420 262 S HA 0.407 4.881 4.470 0.007 0.000 0.313 262 S C -0.209 174.326 174.600 -0.109 0.000 1.079 262 S CA -0.387 57.796 58.200 -0.027 0.000 1.104 262 S CB 0.479 63.657 63.200 -0.037 0.000 0.969 262 S HN 0.601 nan 8.310 nan 0.000 0.471 263 Y N 2.028 122.343 120.300 0.025 0.000 2.347 263 Y HA 0.303 4.857 4.550 0.007 0.000 0.294 263 Y C 0.683 176.582 175.900 -0.001 0.000 1.117 263 Y CA 0.450 58.537 58.100 -0.021 0.000 1.184 263 Y CB 0.285 38.686 38.460 -0.099 0.000 1.047 263 Y HN 0.408 nan 8.280 nan 0.000 0.546 264 L N 1.254 122.591 121.223 0.191 0.000 2.334 264 L HA 0.287 4.632 4.340 0.007 0.000 0.273 264 L C -1.475 175.471 176.870 0.128 0.000 1.013 264 L CA -2.151 52.784 54.840 0.157 0.000 0.816 264 L CB 1.812 43.966 42.059 0.158 0.000 1.278 264 L HN -0.187 nan 8.230 nan 0.000 0.431 265 P HA -0.176 nan 4.420 nan 0.000 0.217 265 P C 1.290 178.635 177.300 0.076 0.000 1.148 265 P CA 1.367 64.538 63.100 0.118 0.000 0.828 265 P CB 0.130 31.918 31.700 0.147 0.000 0.783 266 S N -0.613 115.138 115.700 0.085 0.000 2.383 266 S HA -0.133 4.341 4.470 0.007 0.000 0.229 266 S C 0.795 175.427 174.600 0.055 0.000 1.030 266 S CA 0.815 59.059 58.200 0.072 0.000 1.002 266 S CB -1.362 61.895 63.200 0.094 0.000 0.829 266 S HN 0.193 nan 8.310 nan 0.000 0.467 267 D N 3.585 124.021 120.400 0.059 0.000 2.525 267 D HA 0.153 4.798 4.640 0.007 0.000 0.235 267 D C -0.043 176.120 176.300 -0.229 0.000 1.137 267 D CA 0.599 54.577 54.000 -0.037 0.000 0.868 267 D CB 0.321 41.163 40.800 0.070 0.000 1.180 267 D HN 0.534 nan 8.370 nan 0.000 0.465 268 D N 0.430 120.521 120.400 -0.515 0.000 2.879 268 D HA 0.142 4.786 4.640 0.007 0.000 0.351 268 D C -2.771 173.178 176.300 -0.586 0.000 1.239 268 D CA -1.421 52.361 54.000 -0.364 0.000 0.771 268 D CB 0.488 41.229 40.800 -0.097 0.000 1.176 268 D HN 0.051 nan 8.370 nan 0.000 0.496 269 P HA 0.209 nan 4.420 nan 0.000 0.271 269 P C -2.218 175.013 177.300 -0.116 0.000 1.216 269 P CA -0.802 62.040 63.100 -0.430 0.000 0.771 269 P CB 0.446 32.019 31.700 -0.212 0.000 0.864 270 P HA 0.217 nan 4.420 nan 0.000 0.272 270 P C -2.406 174.899 177.300 0.008 0.000 1.223 270 P CA -1.544 61.567 63.100 0.019 0.000 0.784 270 P CB -1.000 30.737 31.700 0.061 0.000 0.923 271 P HA 0.042 nan 4.420 nan 0.000 0.268 271 P C 1.030 178.318 177.300 -0.019 0.000 1.204 271 P CA -0.170 62.923 63.100 -0.012 0.000 0.768 271 P CB 0.401 32.090 31.700 -0.018 0.000 0.842 272 I N 3.343 123.902 120.570 -0.018 0.000 2.361 272 I HA -0.228 3.946 4.170 0.007 0.000 0.251 272 I C 2.054 178.093 176.117 -0.131 0.000 1.133 272 I CA 1.676 62.956 61.300 -0.033 0.000 1.413 272 I CB -0.970 37.037 38.000 0.012 0.000 1.073 272 I HN 0.451 nan 8.210 nan 0.000 0.424 273 A N -0.575 122.172 122.820 -0.120 0.000 1.969 273 A HA -0.201 4.123 4.320 0.007 0.000 0.218 273 A C 2.307 179.794 177.584 -0.161 0.000 1.169 273 A CA 1.682 53.619 52.037 -0.168 0.000 0.635 273 A CB -0.651 18.284 19.000 -0.108 0.000 0.810 273 A HN 0.554 nan 8.150 nan 0.000 0.445 274 E N -0.500 119.637 120.200 -0.104 0.000 2.047 274 E HA -0.110 4.244 4.350 0.007 0.000 0.191 274 E C 2.009 178.558 176.600 -0.084 0.000 0.987 274 E CA 0.797 57.152 56.400 -0.075 0.000 0.799 274 E CB -0.180 29.496 29.700 -0.039 0.000 0.752 274 E HN 0.594 nan 8.360 nan 0.000 0.449 275 L N 0.521 121.695 121.223 -0.081 0.000 1.989 275 L HA -0.193 4.151 4.340 0.007 0.000 0.211 275 L C 2.391 179.172 176.870 -0.148 0.000 1.071 275 L CA 1.598 56.400 54.840 -0.064 0.000 0.749 275 L CB -0.418 41.632 42.059 -0.015 0.000 0.890 275 L HN 0.136 nan 8.230 nan 0.000 0.431 276 A N -0.551 122.080 122.820 -0.314 0.000 2.019 276 A HA -0.126 4.198 4.320 0.007 0.000 0.219 276 A C 2.326 179.724 177.584 -0.310 0.000 1.164 276 A CA 1.566 53.267 52.037 -0.559 0.000 0.644 276 A CB -0.579 17.583 19.000 -1.396 0.000 0.805 276 A HN 0.592 nan 8.150 nan 0.000 0.449 277 A N -0.272 122.418 122.820 -0.215 0.000 1.930 277 A HA -0.009 4.315 4.320 0.007 0.000 0.215 277 A C 2.048 179.587 177.584 -0.075 0.000 1.176 277 A CA 1.543 53.503 52.037 -0.129 0.000 0.632 277 A CB -0.276 18.663 19.000 -0.102 0.000 0.819 277 A HN 0.492 nan 8.150 nan 0.000 0.445 278 K N -0.551 119.811 120.400 -0.062 0.000 2.026 278 K HA -0.084 4.240 4.320 0.007 0.000 0.208 278 K C 1.771 178.359 176.600 -0.020 0.000 1.048 278 K CA 1.212 57.484 56.287 -0.025 0.000 0.929 278 K CB -0.341 32.158 32.500 -0.001 0.000 0.713 278 K HN 0.275 nan 8.250 nan 0.000 0.439 279 L N 0.783 121.980 121.223 -0.043 0.000 1.971 279 L HA -0.143 4.201 4.340 0.007 0.000 0.215 279 L C 2.386 179.252 176.870 -0.007 0.000 1.072 279 L CA 2.191 57.008 54.840 -0.038 0.000 0.758 279 L CB -1.507 40.515 42.059 -0.062 0.000 0.889 279 L HN 0.360 nan 8.230 nan 0.000 0.433 280 G N -2.265 106.529 108.800 -0.010 0.000 2.505 280 G HA2 -0.329 3.635 3.960 0.007 0.000 0.220 280 G HA3 -0.329 3.635 3.960 0.007 0.000 0.220 280 G C 1.574 176.477 174.900 0.004 0.000 1.145 280 G CA 1.523 46.625 45.100 0.004 0.000 0.761 280 G HN 0.415 nan 8.290 nan 0.000 0.571 281 T N 1.458 116.010 114.554 -0.003 0.000 2.857 281 T HA -0.028 4.326 4.350 0.007 0.000 0.266 281 T C 2.411 177.119 174.700 0.014 0.000 1.048 281 T CA 1.064 63.166 62.100 0.003 0.000 1.139 281 T CB -0.153 68.715 68.868 -0.001 0.000 0.874 281 T HN 0.480 nan 8.240 nan 0.000 0.455 282 I N -0.047 120.533 120.570 0.018 0.000 2.353 282 I HA -0.023 4.152 4.170 0.007 0.000 0.248 282 I C 2.164 178.302 176.117 0.035 0.000 1.119 282 I CA 1.025 62.343 61.300 0.030 0.000 1.417 282 I CB -1.298 36.725 38.000 0.039 0.000 1.078 282 I HN 0.016 nan 8.210 nan 0.000 0.421 283 V N 1.086 121.018 119.914 0.030 0.000 2.720 283 V HA -0.215 3.909 4.120 0.007 0.000 0.256 283 V C 2.719 178.831 176.094 0.031 0.000 1.082 283 V CA 2.075 64.394 62.300 0.031 0.000 1.101 283 V CB -0.656 31.183 31.823 0.026 0.000 0.693 283 V HN 0.506 nan 8.190 nan 0.000 0.479 284 S N -0.801 114.916 115.700 0.027 0.000 2.398 284 S HA -0.098 4.376 4.470 0.007 0.000 0.220 284 S C 1.733 176.349 174.600 0.027 0.000 1.046 284 S CA 0.706 58.922 58.200 0.025 0.000 0.953 284 S CB -0.197 63.014 63.200 0.019 0.000 0.856 284 S HN 0.588 nan 8.310 nan 0.000 0.506 285 D N 1.324 121.740 120.400 0.026 0.000 2.116 285 D HA -0.139 4.505 4.640 0.007 0.000 0.193 285 D C 1.916 178.238 176.300 0.038 0.000 0.998 285 D CA 1.402 55.418 54.000 0.027 0.000 0.836 285 D CB -0.319 40.494 40.800 0.022 0.000 0.951 285 D HN 0.421 nan 8.370 nan 0.000 0.449 286 E N -0.013 120.216 120.200 0.049 0.000 2.051 286 E HA -0.063 4.291 4.350 0.007 0.000 0.189 286 E C 2.049 178.686 176.600 0.061 0.000 0.979 286 E CA 0.738 57.181 56.400 0.071 0.000 0.803 286 E CB -0.142 29.614 29.700 0.094 0.000 0.761 286 E HN -0.039 nan 8.360 nan 0.000 0.451 287 S N -0.712 115.016 115.700 0.047 0.000 2.378 287 S HA -0.262 4.212 4.470 0.007 0.000 0.229 287 S C 2.129 176.751 174.600 0.037 0.000 1.052 287 S CA 2.414 60.638 58.200 0.039 0.000 1.084 287 S CB -0.715 62.506 63.200 0.034 0.000 0.950 287 S HN 0.639 nan 8.310 nan 0.000 0.440 288 T N -1.180 113.395 114.554 0.034 0.000 3.043 288 T HA 0.335 4.689 4.350 0.007 0.000 0.263 288 T C 1.364 176.084 174.700 0.033 0.000 1.094 288 T CA 0.864 62.983 62.100 0.031 0.000 1.127 288 T CB -0.256 68.627 68.868 0.025 0.000 0.905 288 T HN 0.345 nan 8.240 nan 0.000 0.490 289 A N 1.332 124.175 122.820 0.039 0.000 2.310 289 A HA 0.516 4.840 4.320 0.007 0.000 0.230 289 A C 1.634 179.245 177.584 0.046 0.000 1.294 289 A CA 0.341 52.402 52.037 0.040 0.000 0.898 289 A CB -0.713 18.312 19.000 0.042 0.000 0.917 289 A HN 0.985 nan 8.150 nan 0.000 0.491 290 V N -5.263 114.677 119.914 0.044 0.000 3.166 290 V HA 0.597 4.721 4.120 0.007 0.000 0.332 290 V C 0.732 176.849 176.094 0.037 0.000 1.434 290 V CA 0.354 62.678 62.300 0.041 0.000 1.121 290 V CB -0.623 31.226 31.823 0.042 0.000 1.062 290 V HN 1.345 nan 8.190 nan 0.000 0.489 291 G N 1.078 109.899 108.800 0.034 0.000 2.142 291 G HA2 -0.136 3.829 3.960 0.007 0.000 0.225 291 G HA3 -0.136 3.829 3.960 0.007 0.000 0.225 291 G C -0.621 174.299 174.900 0.032 0.000 1.015 291 G CA 0.348 45.467 45.100 0.031 0.000 0.716 291 G HN 0.529 nan 8.290 nan 0.000 0.508 292 L N 0.366 121.609 121.223 0.033 0.000 2.341 292 L HA 0.691 5.035 4.340 0.007 0.000 0.267 292 L C -1.937 174.951 176.870 0.030 0.000 1.009 292 L CA -2.732 52.128 54.840 0.033 0.000 0.819 292 L CB 1.543 43.624 42.059 0.037 0.000 1.323 292 L HN -0.073 nan 8.230 nan 0.000 0.425 293 P HA 0.073 nan 4.420 nan 0.000 0.267 293 P C -0.372 176.945 177.300 0.029 0.000 1.209 293 P CA -0.235 62.881 63.100 0.027 0.000 0.763 293 P CB -0.131 31.585 31.700 0.027 0.000 0.816 294 T N 2.760 117.330 114.554 0.027 0.000 2.792 294 T HA 0.175 4.529 4.350 0.007 0.000 0.286 294 T C -1.774 172.944 174.700 0.030 0.000 0.970 294 T CA -0.993 61.124 62.100 0.028 0.000 1.187 294 T CB -0.827 68.057 68.868 0.026 0.000 0.915 294 T HN 0.296 nan 8.240 nan 0.000 0.529 295 P HA 0.299 nan 4.420 nan 0.000 0.278 295 P C -0.488 176.832 177.300 0.034 0.000 1.266 295 P CA -0.942 62.178 63.100 0.032 0.000 0.807 295 P CB 0.755 32.473 31.700 0.029 0.000 1.094 296 K N 1.457 121.880 120.400 0.038 0.000 2.249 296 K HA 0.308 4.632 4.320 0.007 0.000 0.280 296 K C -0.598 176.020 176.600 0.031 0.000 1.033 296 K CA -0.618 55.694 56.287 0.042 0.000 0.946 296 K CB 0.589 33.120 32.500 0.052 0.000 1.005 296 K HN 0.456 nan 8.250 nan 0.000 0.469 297 L N 4.988 126.230 121.223 0.032 0.000 2.290 297 L HA 0.264 4.608 4.340 0.007 0.000 0.284 297 L C -1.039 175.795 176.870 -0.060 0.000 1.078 297 L CA -0.661 54.182 54.840 0.005 0.000 0.815 297 L CB 1.188 43.285 42.059 0.063 0.000 1.162 297 L HN 0.553 nan 8.230 nan 0.000 0.435 298 V N 5.344 125.178 119.914 -0.133 0.000 2.864 298 V HA 0.586 4.711 4.120 0.007 0.000 0.314 298 V C -0.465 175.407 176.094 -0.370 0.000 1.073 298 V CA -0.616 61.521 62.300 -0.272 0.000 0.956 298 V CB 2.460 34.123 31.823 -0.266 0.000 1.023 298 V HN 0.502 nan 8.190 nan 0.000 0.435 299 V N 2.379 121.984 119.914 -0.514 0.000 2.888 299 V HA 0.501 4.625 4.120 0.007 0.000 0.309 299 V C -0.822 175.070 176.094 -0.337 0.000 1.114 299 V CA -0.406 61.599 62.300 -0.493 0.000 0.940 299 V CB 2.451 33.724 31.823 -0.917 0.000 1.021 299 V HN 1.023 nan 8.190 nan 0.000 0.426 300 E N 5.712 125.812 120.200 -0.167 0.000 3.786 300 E HA 0.276 4.630 4.350 0.007 0.000 0.215 300 E C -2.682 173.915 176.600 -0.006 0.000 1.188 300 E CA -1.521 54.851 56.400 -0.047 0.000 1.248 300 E CB 1.124 30.846 29.700 0.036 0.000 1.260 300 E HN 0.471 nan 8.360 nan 0.000 0.426 301 P HA 0.044 nan 4.420 nan 0.000 0.275 301 P C 0.350 177.689 177.300 0.065 0.000 1.227 301 P CA 0.165 63.295 63.100 0.049 0.000 0.781 301 P CB 1.968 33.705 31.700 0.061 0.000 0.906 302 G N 2.926 111.758 108.800 0.053 0.000 2.789 302 G HA2 -0.052 3.912 3.960 0.007 0.000 0.207 302 G HA3 -0.052 3.912 3.960 0.007 0.000 0.207 302 G C 1.497 176.465 174.900 0.112 0.000 1.153 302 G CA -0.019 45.080 45.100 -0.001 0.000 0.847 302 G HN 0.455 nan 8.290 nan 0.000 0.615 303 R N 0.652 121.221 120.500 0.114 0.000 2.120 303 R HA 0.069 4.413 4.340 0.007 0.000 0.234 303 R C 2.459 178.803 176.300 0.074 0.000 1.123 303 R CA 1.424 57.600 56.100 0.127 0.000 0.975 303 R CB -0.217 30.227 30.300 0.238 0.000 0.866 303 R HN 0.287 nan 8.270 nan 0.000 0.446 304 A N -0.052 122.813 122.820 0.074 0.000 2.169 304 A HA 0.077 4.401 4.320 0.007 0.000 0.212 304 A C 1.747 179.319 177.584 -0.020 0.000 1.153 304 A CA 0.482 52.543 52.037 0.040 0.000 0.756 304 A CB -0.000 19.042 19.000 0.070 0.000 0.813 304 A HN 0.307 nan 8.150 nan 0.000 0.471 305 I N -1.125 119.419 120.570 -0.044 0.000 2.962 305 I HA 0.163 4.337 4.170 0.007 0.000 0.246 305 I C 1.697 177.527 176.117 -0.478 0.000 1.091 305 I CA 0.406 61.554 61.300 -0.253 0.000 1.469 305 I CB -0.328 37.533 38.000 -0.233 0.000 1.324 305 I HN 0.271 nan 8.210 nan 0.000 0.461 306 A N 0.159 122.796 122.820 -0.304 0.000 2.292 306 A HA 0.497 4.821 4.320 0.007 0.000 0.265 306 A C 0.994 178.580 177.584 0.003 0.000 1.133 306 A CA 0.657 52.657 52.037 -0.062 0.000 0.807 306 A CB -0.215 18.956 19.000 0.286 0.000 1.102 306 A HN 0.699 nan 8.150 nan 0.000 0.502 307 G N -1.415 107.420 108.800 0.058 0.000 3.405 307 G HA2 -0.180 3.785 3.960 0.007 0.000 0.246 307 G HA3 -0.180 3.785 3.960 0.007 0.000 0.246 307 G C -1.314 173.574 174.900 -0.021 0.000 1.852 307 G CA 0.297 45.411 45.100 0.022 0.000 1.510 307 G HN 0.582 nan 8.290 nan 0.000 0.570 308 P HA 0.059 nan 4.420 nan 0.000 0.216 308 P C 1.868 179.169 177.300 0.003 0.000 1.150 308 P CA 2.441 65.500 63.100 -0.068 0.000 0.837 308 P CB -0.466 31.201 31.700 -0.056 0.000 0.786 309 G N -1.668 107.166 108.800 0.055 0.000 2.848 309 G HA2 -0.008 3.956 3.960 0.007 0.000 0.208 309 G HA3 -0.008 3.956 3.960 0.007 0.000 0.208 309 G C 0.407 175.389 174.900 0.137 0.000 1.152 309 G CA 0.680 45.850 45.100 0.118 0.000 0.789 309 G HN 0.414 nan 8.290 nan 0.000 0.531 310 T N -1.509 113.110 114.554 0.108 0.000 2.906 310 T HA 0.694 5.048 4.350 0.007 0.000 0.295 310 T C -1.480 173.274 174.700 0.090 0.000 1.061 310 T CA -0.762 61.407 62.100 0.115 0.000 1.000 310 T CB 2.456 71.392 68.868 0.113 0.000 1.103 310 T HN -0.136 nan 8.240 nan 0.000 0.486 311 I N 1.725 122.351 120.570 0.093 0.000 2.619 311 I HA 0.498 4.672 4.170 0.007 0.000 0.292 311 I C -0.152 175.928 176.117 -0.061 0.000 1.100 311 I CA -0.137 61.189 61.300 0.043 0.000 1.043 311 I CB 2.765 40.845 38.000 0.134 0.000 1.239 311 I HN 0.810 nan 8.210 nan 0.000 0.420 312 T N 6.475 120.911 114.554 -0.197 0.000 2.794 312 T HA 0.531 4.885 4.350 0.007 0.000 0.280 312 T C -0.904 173.520 174.700 -0.459 0.000 0.987 312 T CA -0.424 61.345 62.100 -0.552 0.000 0.993 312 T CB 0.881 69.277 68.868 -0.786 0.000 0.939 312 T HN 0.303 nan 8.240 nan 0.000 0.449 313 L N 4.749 125.660 121.223 -0.520 0.000 2.325 313 L HA 0.568 4.913 4.340 0.007 0.000 0.281 313 L C -1.619 175.069 176.870 -0.303 0.000 1.004 313 L CA -0.648 54.047 54.840 -0.241 0.000 0.823 313 L CB 0.891 42.888 42.059 -0.103 0.000 1.236 313 L HN 0.702 nan 8.230 nan 0.000 0.415 314 Y N 2.232 122.518 120.300 -0.023 0.000 2.598 314 Y HA 0.410 4.965 4.550 0.007 0.000 0.340 314 Y C -0.028 175.873 175.900 0.000 0.000 1.038 314 Y CA -0.755 57.332 58.100 -0.022 0.000 1.100 314 Y CB 1.743 40.187 38.460 -0.027 0.000 1.281 314 Y HN 0.474 nan 8.280 nan 0.000 0.488 315 E N 1.336 121.646 120.200 0.184 0.000 2.145 315 E HA 0.459 4.813 4.350 0.007 0.000 0.270 315 E C -1.318 175.327 176.600 0.075 0.000 0.906 315 E CA -0.662 55.801 56.400 0.106 0.000 0.761 315 E CB 1.282 31.024 29.700 0.071 0.000 1.116 315 E HN 0.496 nan 8.360 nan 0.000 0.408 316 V N 3.788 123.734 119.914 0.053 0.000 2.694 316 V HA 0.102 4.226 4.120 0.007 0.000 0.306 316 V C 1.150 177.257 176.094 0.020 0.000 1.054 316 V CA 1.336 63.651 62.300 0.026 0.000 1.161 316 V CB 1.156 32.995 31.823 0.025 0.000 0.916 316 V HN 0.964 nan 8.190 nan 0.000 0.490 317 G N 3.003 111.809 108.800 0.010 0.000 2.597 317 G HA2 0.256 4.220 3.960 0.007 0.000 0.196 317 G HA3 0.256 4.220 3.960 0.007 0.000 0.196 317 G C 0.316 175.219 174.900 0.005 0.000 1.176 317 G CA 0.311 45.415 45.100 0.007 0.000 0.747 317 G HN 0.632 nan 8.290 nan 0.000 0.821 318 T N 0.484 115.041 114.554 0.005 0.000 2.912 318 T HA 0.587 4.941 4.350 0.007 0.000 0.299 318 T C -1.357 173.355 174.700 0.020 0.000 1.052 318 T CA -0.274 61.832 62.100 0.009 0.000 0.996 318 T CB 2.879 71.750 68.868 0.005 0.000 1.070 318 T HN -0.015 nan 8.240 nan 0.000 0.465 319 V N 3.235 123.163 119.914 0.023 0.000 2.444 319 V HA 0.588 4.713 4.120 0.007 0.000 0.294 319 V C -0.216 175.901 176.094 0.039 0.000 1.022 319 V CA -0.735 61.586 62.300 0.036 0.000 0.850 319 V CB 1.689 33.529 31.823 0.027 0.000 0.992 319 V HN 0.743 nan 8.190 nan 0.000 0.426 320 K N 2.897 123.337 120.400 0.067 0.000 2.378 320 K HA 0.565 4.889 4.320 0.007 0.000 0.252 320 K C -1.496 175.160 176.600 0.093 0.000 0.931 320 K CA -0.645 55.674 56.287 0.053 0.000 0.794 320 K CB 2.119 34.630 32.500 0.018 0.000 1.181 320 K HN 0.700 nan 8.250 nan 0.000 0.425 321 D N 2.928 123.366 120.400 0.063 0.000 2.392 321 D HA 0.270 4.914 4.640 0.007 0.000 0.228 321 D C -1.365 175.016 176.300 0.136 0.000 1.074 321 D CA -0.371 53.682 54.000 0.089 0.000 0.838 321 D CB 1.302 42.100 40.800 -0.003 0.000 1.067 321 D HN 0.118 nan 8.370 nan 0.000 0.511 322 V N 4.931 124.969 119.914 0.207 0.000 2.417 322 V HA 0.239 4.363 4.120 0.007 0.000 0.291 322 V C -0.168 176.037 176.094 0.185 0.000 1.024 322 V CA -0.971 61.415 62.300 0.145 0.000 0.861 322 V CB 1.705 33.542 31.823 0.023 0.000 0.985 322 V HN 0.604 nan 8.190 nan 0.000 0.436 323 D N 4.757 125.217 120.400 0.100 0.000 2.343 323 D HA 0.097 4.741 4.640 0.007 0.000 0.255 323 D C 0.780 177.033 176.300 -0.078 0.000 1.187 323 D CA -0.181 53.759 54.000 -0.100 0.000 0.875 323 D CB 2.163 42.909 40.800 -0.091 0.000 1.136 323 D HN 0.427 nan 8.370 nan 0.000 0.469 324 V N 0.001 119.850 119.914 -0.109 0.000 3.605 324 V HA 0.184 4.308 4.120 0.007 0.000 0.284 324 V C 0.455 176.509 176.094 -0.066 0.000 1.386 324 V CA 0.735 63.005 62.300 -0.051 0.000 1.053 324 V CB -0.240 31.575 31.823 -0.012 0.000 0.857 324 V HN 0.713 nan 8.190 nan 0.000 0.436 325 S N -0.949 114.685 115.700 -0.109 0.000 2.790 325 S HA 0.802 5.277 4.470 0.007 0.000 0.292 325 S C 0.878 175.417 174.600 -0.102 0.000 1.197 325 S CA 0.068 58.219 58.200 -0.080 0.000 0.851 325 S CB 1.005 64.173 63.200 -0.054 0.000 1.217 325 S HN 0.954 nan 8.310 nan 0.000 0.526 326 A N 0.173 122.955 122.820 -0.064 0.000 2.066 326 A HA 0.204 4.528 4.320 0.007 0.000 0.218 326 A C 1.953 179.504 177.584 -0.055 0.000 1.157 326 A CA 2.068 54.075 52.037 -0.050 0.000 0.670 326 A CB -1.059 17.928 19.000 -0.022 0.000 0.804 326 A HN 1.246 nan 8.150 nan 0.000 0.453 327 T N -3.316 111.199 114.554 -0.065 0.000 2.964 327 T HA 0.571 4.925 4.350 0.007 0.000 0.250 327 T C 0.613 175.279 174.700 -0.056 0.000 0.982 327 T CA 0.971 63.054 62.100 -0.028 0.000 0.959 327 T CB -0.197 68.671 68.868 -0.001 0.000 1.141 327 T HN 0.571 nan 8.240 nan 0.000 0.494 328 A N 0.370 123.108 122.820 -0.135 0.000 2.322 328 A HA 0.812 5.136 4.320 0.007 0.000 0.327 328 A C -1.279 176.090 177.584 -0.360 0.000 1.134 328 A CA -0.633 51.335 52.037 -0.115 0.000 0.831 328 A CB 0.801 19.780 19.000 -0.034 0.000 1.288 328 A HN 0.684 nan 8.150 nan 0.000 0.472 329 H N -0.659 118.429 119.070 0.029 0.000 2.821 329 H HA 0.660 5.220 4.556 0.007 0.000 0.373 329 H C -0.456 174.890 175.328 0.029 0.000 1.165 329 H CA -0.512 55.557 56.048 0.036 0.000 1.154 329 H CB 1.649 31.434 29.762 0.037 0.000 1.765 329 H HN 0.672 nan 8.280 nan 0.000 0.549 330 R N 1.467 122.072 120.500 0.174 0.000 2.534 330 R HA 0.451 4.796 4.340 0.007 0.000 0.301 330 R C -0.902 175.497 176.300 0.165 0.000 0.961 330 R CA -1.182 54.977 56.100 0.098 0.000 0.871 330 R CB 1.151 31.490 30.300 0.065 0.000 1.170 330 R HN 0.529 nan 8.270 nan 0.000 0.446 331 R N 3.711 124.234 120.500 0.038 0.000 2.230 331 R HA 0.154 4.498 4.340 0.007 0.000 0.337 331 R C -1.585 174.718 176.300 0.006 0.000 1.063 331 R CA -0.195 55.944 56.100 0.065 0.000 0.935 331 R CB -0.012 30.302 30.300 0.023 0.000 1.121 331 R HN 0.445 nan 8.270 nan 0.000 0.486 332 Y N 3.536 123.829 120.300 -0.012 0.000 2.486 332 Y HA 0.168 4.722 4.550 0.007 0.000 0.348 332 Y C 0.272 176.158 175.900 -0.023 0.000 1.000 332 Y CA -0.150 57.938 58.100 -0.021 0.000 1.253 332 Y CB 1.311 39.761 38.460 -0.016 0.000 1.140 332 Y HN 0.336 nan 8.280 nan 0.000 0.526 333 V N 4.525 124.456 119.914 0.028 0.000 2.311 333 V HA 0.504 4.628 4.120 0.007 0.000 0.275 333 V C -0.307 175.785 176.094 -0.004 0.000 1.022 333 V CA -0.373 61.937 62.300 0.016 0.000 0.830 333 V CB 0.366 32.186 31.823 -0.005 0.000 1.012 333 V HN 0.715 nan 8.190 nan 0.000 0.452 334 S N 5.054 120.763 115.700 0.015 0.000 2.586 334 S HA 0.765 5.239 4.470 0.007 0.000 0.274 334 S C -0.291 174.282 174.600 -0.046 0.000 1.281 334 S CA -0.478 57.714 58.200 -0.013 0.000 1.035 334 S CB 1.817 65.021 63.200 0.007 0.000 0.962 334 S HN 0.832 nan 8.310 nan 0.000 0.512 335 V N 1.106 120.970 119.914 -0.084 0.000 3.130 335 V HA 0.232 4.356 4.120 0.007 0.000 0.310 335 V C 0.633 176.702 176.094 -0.042 0.000 1.158 335 V CA -0.643 61.598 62.300 -0.100 0.000 1.029 335 V CB 2.261 33.911 31.823 -0.288 0.000 1.057 335 V HN 0.908 nan 8.190 nan 0.000 0.436 336 D N 1.513 121.942 120.400 0.049 0.000 2.200 336 D HA -0.139 4.505 4.640 0.007 0.000 0.192 336 D C 0.957 177.317 176.300 0.100 0.000 1.008 336 D CA 2.173 56.233 54.000 0.100 0.000 0.872 336 D CB 0.131 41.053 40.800 0.202 0.000 0.923 336 D HN 0.729 nan 8.370 nan 0.000 0.447 337 G N -2.047 106.867 108.800 0.189 0.000 3.410 337 G HA2 0.591 4.556 3.960 0.007 0.000 0.189 337 G HA3 0.591 4.556 3.960 0.007 0.000 0.189 337 G C 0.119 175.081 174.900 0.103 0.000 1.404 337 G CA 0.313 45.535 45.100 0.203 0.000 0.898 337 G HN 0.583 nan 8.290 nan 0.000 0.650 341 D N 0.515 121.050 120.400 0.224 0.000 2.486 341 D HA 0.337 4.981 4.640 0.007 0.000 0.243 341 D C 0.076 176.545 176.300 0.283 0.000 1.146 341 D CA -0.164 53.993 54.000 0.262 0.000 0.821 341 D CB 0.145 41.108 40.800 0.272 0.000 1.201 341 D HN 0.212 nan 8.370 nan 0.000 0.525 342 N N 0.660 119.490 118.700 0.217 0.000 2.607 342 N HA 0.220 4.964 4.740 0.007 0.000 0.271 342 N C -0.930 174.678 175.510 0.163 0.000 1.142 342 N CA -0.465 52.703 53.050 0.196 0.000 0.810 342 N CB 1.314 39.864 38.487 0.105 0.000 1.306 342 N HN 0.203 nan 8.380 nan 0.000 0.536 343 I N 2.653 123.315 120.570 0.153 0.000 3.860 343 I HA 0.156 4.330 4.170 0.007 0.000 0.319 343 I C 1.687 177.859 176.117 0.091 0.000 1.279 343 I CA 0.063 61.412 61.300 0.081 0.000 1.220 343 I CB 0.200 38.207 38.000 0.011 0.000 1.027 343 I HN 0.359 nan 8.210 nan 0.000 0.428 344 R N -0.151 120.483 120.500 0.223 0.000 2.139 344 R HA -0.164 4.180 4.340 0.007 0.000 0.243 344 R C 1.910 178.349 176.300 0.232 0.000 1.145 344 R CA 1.973 58.268 56.100 0.326 0.000 0.976 344 R CB -0.830 29.749 30.300 0.465 0.000 0.866 344 R HN 0.356 nan 8.270 nan 0.000 0.449 345 T N 0.834 115.523 114.554 0.225 0.000 2.770 345 T HA -0.052 4.302 4.350 0.007 0.000 0.263 345 T C 2.000 176.736 174.700 0.061 0.000 1.039 345 T CA 1.264 63.459 62.100 0.159 0.000 1.142 345 T CB -0.207 68.776 68.868 0.191 0.000 0.868 345 T HN 0.380 nan 8.240 nan 0.000 0.435 346 A N 1.155 123.995 122.820 0.033 0.000 1.883 346 A HA -0.062 4.262 4.320 0.007 0.000 0.217 346 A C 2.229 179.761 177.584 -0.086 0.000 1.186 346 A CA 1.485 53.510 52.037 -0.020 0.000 0.624 346 A CB -0.759 18.224 19.000 -0.028 0.000 0.822 346 A HN 0.398 nan 8.150 nan 0.000 0.444 347 L N -2.445 118.680 121.223 -0.163 0.000 2.127 347 L HA 0.095 4.439 4.340 0.007 0.000 0.203 347 L C 1.723 178.340 176.870 -0.422 0.000 1.080 347 L CA 1.684 56.295 54.840 -0.382 0.000 0.768 347 L CB -0.369 41.298 42.059 -0.652 0.000 0.924 347 L HN 0.478 nan 8.230 nan 0.000 0.444 348 Y N -0.986 119.292 120.300 -0.036 0.000 2.481 348 Y HA 0.450 5.004 4.550 0.007 0.000 0.247 348 Y C 1.556 177.409 175.900 -0.079 0.000 1.151 348 Y CA -0.003 58.057 58.100 -0.065 0.000 1.238 348 Y CB 0.206 38.617 38.460 -0.081 0.000 1.179 348 Y HN 0.160 nan 8.280 nan 0.000 0.524 349 G N 1.374 110.205 108.800 0.051 0.000 2.273 349 G HA2 -0.221 3.743 3.960 0.007 0.000 0.280 349 G HA3 -0.221 3.743 3.960 0.007 0.000 0.280 349 G C 0.312 175.199 174.900 -0.021 0.000 1.047 349 G CA 0.078 45.184 45.100 0.011 0.000 0.869 349 G HN 0.607 nan 8.290 nan 0.000 0.502 350 A N -0.875 121.930 122.820 -0.026 0.000 2.366 350 A HA 0.676 5.000 4.320 0.007 0.000 0.249 350 A C 0.516 177.973 177.584 -0.213 0.000 1.084 350 A CA 0.346 52.257 52.037 -0.209 0.000 0.794 350 A CB 0.466 19.278 19.000 -0.313 0.000 1.034 350 A HN 0.598 nan 8.150 nan 0.000 0.491 351 Q N -0.055 119.527 119.800 -0.363 0.000 2.325 351 Q HA 0.533 4.877 4.340 0.007 0.000 0.270 351 Q C -1.870 173.993 176.000 -0.227 0.000 1.020 351 Q CA -0.041 55.657 55.803 -0.174 0.000 0.785 351 Q CB 1.843 30.538 28.738 -0.073 0.000 1.259 351 Q HN 0.745 nan 8.270 nan 0.000 0.452 352 Y N 0.116 120.458 120.300 0.070 0.000 2.562 352 Y HA 0.300 4.854 4.550 0.007 0.000 0.343 352 Y C -0.257 175.715 175.900 0.121 0.000 1.025 352 Y CA -1.012 57.163 58.100 0.125 0.000 1.082 352 Y CB 1.725 40.255 38.460 0.117 0.000 1.264 352 Y HN 0.507 nan 8.280 nan 0.000 0.478 353 D N 1.263 121.840 120.400 0.295 0.000 2.249 353 D HA 0.387 5.031 4.640 0.007 0.000 0.246 353 D C -1.382 175.080 176.300 0.271 0.000 1.114 353 D CA 0.040 54.194 54.000 0.258 0.000 0.854 353 D CB 1.581 42.522 40.800 0.236 0.000 1.132 353 D HN 0.301 nan 8.370 nan 0.000 0.461 354 V N 4.222 124.316 119.914 0.301 0.000 2.769 354 V HA 0.750 4.874 4.120 0.007 0.000 0.312 354 V C -1.043 175.252 176.094 0.335 0.000 1.061 354 V CA -0.577 61.905 62.300 0.304 0.000 0.931 354 V CB 1.851 33.783 31.823 0.182 0.000 1.010 354 V HN 0.567 nan 8.190 nan 0.000 0.433 355 R N 3.268 123.968 120.500 0.334 0.000 2.584 355 R HA 0.573 4.917 4.340 0.007 0.000 0.276 355 R C -1.391 174.984 176.300 0.125 0.000 1.046 355 R CA -0.542 55.681 56.100 0.206 0.000 0.906 355 R CB 1.870 32.240 30.300 0.116 0.000 1.215 355 R HN 0.825 nan 8.270 nan 0.000 0.449 356 L N 3.309 124.578 121.223 0.075 0.000 2.416 356 L HA 0.258 4.602 4.340 0.007 0.000 0.272 356 L C -0.236 176.635 176.870 0.002 0.000 1.161 356 L CA 0.647 55.516 54.840 0.047 0.000 0.845 356 L CB 1.274 43.358 42.059 0.041 0.000 1.119 356 L HN 0.603 nan 8.230 nan 0.000 0.464 357 V N 2.239 122.156 119.914 0.006 0.000 3.294 357 V HA 0.001 4.125 4.120 0.007 0.000 0.255 357 V C 1.631 177.718 176.094 -0.012 0.000 1.528 357 V CA 1.034 63.319 62.300 -0.025 0.000 1.086 357 V CB 1.014 32.837 31.823 0.000 0.000 0.906 357 V HN 1.022 nan 8.190 nan 0.000 0.433 358 S N 1.614 117.319 115.700 0.008 0.000 2.461 358 S HA 0.090 4.564 4.470 0.007 0.000 0.228 358 S C 0.948 175.548 174.600 0.001 0.000 1.005 358 S CA 0.507 58.713 58.200 0.010 0.000 0.942 358 S CB 0.054 63.267 63.200 0.021 0.000 0.776 358 S HN 0.767 nan 8.310 nan 0.000 0.514 359 R N -0.863 119.636 120.500 -0.002 0.000 2.902 359 R HA 0.740 5.084 4.340 0.007 0.000 0.264 359 R C -1.821 174.472 176.300 -0.011 0.000 1.059 359 R CA -0.822 55.275 56.100 -0.005 0.000 0.935 359 R CB 1.281 31.582 30.300 0.001 0.000 1.325 359 R HN 0.178 nan 8.270 nan 0.000 0.438 360 V N 0.449 120.358 119.914 -0.009 0.000 2.588 360 V HA 0.644 4.768 4.120 0.007 0.000 0.304 360 V C -1.059 175.035 176.094 -0.000 0.000 1.042 360 V CA -0.191 62.103 62.300 -0.009 0.000 0.877 360 V CB 1.779 33.592 31.823 -0.017 0.000 0.996 360 V HN 0.868 nan 8.190 nan 0.000 0.425 361 S N 3.538 119.242 115.700 0.006 0.000 2.537 361 S HA 0.537 5.011 4.470 0.007 0.000 0.301 361 S C 0.114 174.722 174.600 0.012 0.000 1.092 361 S CA -0.516 57.691 58.200 0.012 0.000 1.048 361 S CB 1.934 65.146 63.200 0.020 0.000 1.053 361 S HN 0.877 nan 8.310 nan 0.000 0.501 362 D N 1.775 122.183 120.400 0.012 0.000 2.389 362 D HA 0.252 4.896 4.640 0.007 0.000 0.206 362 D C 0.834 177.144 176.300 0.016 0.000 1.055 362 D CA 0.236 54.243 54.000 0.012 0.000 0.856 362 D CB 0.432 41.237 40.800 0.008 0.000 0.957 362 D HN 0.693 nan 8.370 nan 0.000 0.509 363 A N 2.735 125.568 122.820 0.021 0.000 2.520 363 A HA 0.251 4.575 4.320 0.007 0.000 0.235 363 A C -2.098 175.507 177.584 0.035 0.000 1.065 363 A CA -0.640 51.413 52.037 0.027 0.000 0.764 363 A CB -0.179 18.839 19.000 0.030 0.000 1.002 363 A HN -0.048 nan 8.150 nan 0.000 0.502 364 P HA 0.238 nan 4.420 nan 0.000 0.271 364 P C -2.730 174.616 177.300 0.077 0.000 1.218 364 P CA -1.260 61.867 63.100 0.046 0.000 0.780 364 P CB 0.042 31.767 31.700 0.043 0.000 0.901 365 P HA 0.135 nan 4.420 nan 0.000 0.275 365 P C -0.684 176.780 177.300 0.272 0.000 1.227 365 P CA 0.031 63.236 63.100 0.175 0.000 0.781 365 P CB 0.789 32.566 31.700 0.129 0.000 0.906 366 V N 4.975 125.074 119.914 0.308 0.000 2.638 366 V HA 0.343 4.467 4.120 0.007 0.000 0.306 366 V C -2.213 173.948 176.094 0.112 0.000 1.052 366 V CA -2.313 60.128 62.300 0.235 0.000 0.885 366 V CB 2.310 34.205 31.823 0.120 0.000 0.999 366 V HN 0.544 nan 8.190 nan 0.000 0.424 367 P HA 0.396 nan 4.420 nan 0.000 0.268 367 P C -0.834 176.294 177.300 -0.288 0.000 1.205 367 P CA 0.163 62.967 63.100 -0.494 0.000 0.771 367 P CB 1.171 32.634 31.700 -0.396 0.000 0.858 368 A N 2.974 125.574 122.820 -0.368 0.000 2.609 368 A HA 0.724 5.048 4.320 0.007 0.000 0.291 368 A C -0.987 176.385 177.584 -0.354 0.000 1.096 368 A CA -0.760 51.111 52.037 -0.277 0.000 0.684 368 A CB 1.731 20.631 19.000 -0.166 0.000 1.282 368 A HN 0.467 nan 8.150 nan 0.000 0.412 369 R N 0.339 120.570 120.500 -0.449 0.000 2.532 369 R HA 0.490 4.834 4.340 0.007 0.000 0.297 369 R C -1.756 174.365 176.300 -0.299 0.000 0.984 369 R CA -0.770 55.062 56.100 -0.447 0.000 0.884 369 R CB 1.889 31.714 30.300 -0.791 0.000 1.182 369 R HN 0.649 nan 8.270 nan 0.000 0.442 370 L N 3.694 124.812 121.223 -0.175 0.000 2.326 370 L HA 0.507 4.851 4.340 0.007 0.000 0.278 370 L C -0.894 175.910 176.870 -0.110 0.000 1.092 370 L CA -0.085 54.676 54.840 -0.132 0.000 0.810 370 L CB 1.617 43.606 42.059 -0.116 0.000 1.153 370 L HN 0.322 nan 8.230 nan 0.000 0.439 371 V N 3.975 123.832 119.914 -0.095 0.000 3.048 371 V HA 0.773 4.897 4.120 0.007 0.000 0.303 371 V C 0.159 176.219 176.094 -0.058 0.000 1.214 371 V CA -0.043 62.243 62.300 -0.022 0.000 0.984 371 V CB 1.988 33.866 31.823 0.092 0.000 1.054 371 V HN 0.921 nan 8.190 nan 0.000 0.430 372 G N 1.922 110.713 108.800 -0.015 0.000 2.857 372 G HA2 0.496 4.460 3.960 0.007 0.000 0.217 372 G HA3 0.496 4.460 3.960 0.007 0.000 0.217 372 G C 0.182 175.066 174.900 -0.027 0.000 1.357 372 G CA 0.201 45.281 45.100 -0.033 0.000 1.033 372 G HN 0.811 nan 8.290 nan 0.000 0.571 373 K N -0.869 119.463 120.400 -0.114 0.000 2.374 373 K HA 0.205 4.529 4.320 0.007 0.000 0.202 373 K C -0.196 176.265 176.600 -0.233 0.000 1.040 373 K CA -0.327 55.855 56.287 -0.175 0.000 1.085 373 K CB -0.019 32.366 32.500 -0.191 0.000 0.873 373 K HN 0.454 nan 8.250 nan 0.000 0.539 374 H N 0.196 119.243 119.070 -0.038 0.000 2.546 374 H HA 0.132 4.692 4.556 0.007 0.000 0.365 374 H C -0.214 175.057 175.328 -0.094 0.000 1.220 374 H CA -0.383 55.598 56.048 -0.112 0.000 1.386 374 H CB 1.332 31.038 29.762 -0.094 0.000 1.510 374 H HN 0.107 nan 8.280 nan 0.000 0.591 375 C N 2.273 121.563 119.300 -0.017 0.000 3.057 375 C HA 0.213 4.677 4.460 0.007 0.000 0.563 375 C C 0.727 175.742 174.990 0.042 0.000 1.129 375 C CA 0.023 59.034 59.018 -0.011 0.000 1.284 375 C CB -2.020 25.694 27.740 -0.045 0.000 1.532 375 C HN 0.565 nan 8.230 nan 0.000 0.631 376 E N -0.155 120.098 120.200 0.089 0.000 2.321 376 E HA 0.143 4.497 4.350 0.007 0.000 0.281 376 E C 0.574 177.225 176.600 0.085 0.000 0.910 376 E CA -0.054 56.411 56.400 0.107 0.000 0.770 376 E CB 1.624 31.435 29.700 0.185 0.000 1.225 376 E HN 0.411 nan 8.360 nan 0.000 0.417 377 S N 1.585 117.319 115.700 0.058 0.000 2.447 377 S HA -0.055 4.419 4.470 0.007 0.000 0.233 377 S C 1.519 176.161 174.600 0.069 0.000 1.006 377 S CA 0.972 59.202 58.200 0.049 0.000 0.957 377 S CB 0.054 63.271 63.200 0.027 0.000 0.773 377 S HN 0.549 nan 8.310 nan 0.000 0.507 378 G N 0.993 109.832 108.800 0.065 0.000 3.026 378 G HA2 0.074 4.038 3.960 0.007 0.000 0.208 378 G HA3 0.074 4.038 3.960 0.007 0.000 0.208 378 G C 0.025 174.967 174.900 0.070 0.000 1.169 378 G CA 0.039 45.173 45.100 0.057 0.000 0.788 378 G HN 0.562 nan 8.290 nan 0.000 0.533 379 D N 0.923 121.383 120.400 0.099 0.000 2.435 379 D HA 0.297 4.942 4.640 0.007 0.000 0.230 379 D C -0.181 176.179 176.300 0.100 0.000 1.215 379 D CA -0.202 53.872 54.000 0.122 0.000 0.947 379 D CB -0.293 40.621 40.800 0.191 0.000 1.048 379 D HN 0.092 nan 8.370 nan 0.000 0.512 380 I N 4.254 124.869 120.570 0.074 0.000 2.569 380 I HA 0.225 4.399 4.170 0.007 0.000 0.290 380 I C 0.888 177.029 176.117 0.040 0.000 1.088 380 I CA -0.675 60.653 61.300 0.047 0.000 1.047 380 I CB 2.247 40.273 38.000 0.044 0.000 1.237 380 I HN 0.243 nan 8.210 nan 0.000 0.421 381 I N 4.656 125.228 120.570 0.003 0.000 3.039 381 I HA 0.159 4.333 4.170 0.007 0.000 0.270 381 I C -0.000 176.145 176.117 0.047 0.000 1.150 381 I CA 0.685 61.983 61.300 -0.004 0.000 1.448 381 I CB 0.455 38.383 38.000 -0.121 0.000 1.197 381 I HN 0.188 nan 8.210 nan 0.000 0.450 382 V N 1.881 121.803 119.914 0.013 0.000 2.447 382 V HA 0.327 4.451 4.120 0.007 0.000 0.292 382 V C 0.820 176.905 176.094 -0.014 0.000 1.021 382 V CA -0.622 61.711 62.300 0.055 0.000 0.850 382 V CB 1.986 33.846 31.823 0.062 0.000 1.005 382 V HN 0.170 nan 8.190 nan 0.000 0.426 383 R N 1.898 122.398 120.500 -0.000 0.000 2.062 383 R HA 0.037 4.381 4.340 0.007 0.000 0.229 383 R C -0.204 176.026 176.300 -0.117 0.000 1.128 383 R CA 1.153 57.223 56.100 -0.050 0.000 0.960 383 R CB 0.396 30.684 30.300 -0.020 0.000 0.855 383 R HN 0.745 nan 8.270 nan 0.000 0.432 384 D N 0.457 120.795 120.400 -0.104 0.000 2.542 384 D HA 0.214 4.858 4.640 0.007 0.000 0.252 384 D C -0.723 175.466 176.300 -0.186 0.000 1.222 384 D CA -0.107 53.776 54.000 -0.196 0.000 0.895 384 D CB 2.186 42.878 40.800 -0.179 0.000 1.207 384 D HN 0.160 nan 8.370 nan 0.000 0.558 385 T N -1.111 113.280 114.554 -0.272 0.000 2.669 385 T HA 0.511 4.865 4.350 0.007 0.000 0.283 385 T C -0.566 173.924 174.700 -0.350 0.000 1.019 385 T CA -0.906 61.114 62.100 -0.133 0.000 1.039 385 T CB 1.938 70.839 68.868 0.055 0.000 1.374 385 T HN 0.258 nan 8.240 nan 0.000 0.523 386 W N -0.177 121.148 121.300 0.041 0.000 2.781 386 W HA 0.769 5.433 4.660 0.007 0.000 0.345 386 W C -1.189 175.355 176.519 0.041 0.000 1.085 386 W CA -0.690 56.678 57.345 0.037 0.000 1.198 386 W CB 2.014 31.499 29.460 0.043 0.000 1.423 386 W HN 0.435 nan 8.180 nan 0.000 0.532 387 V N 3.430 123.488 119.914 0.241 0.000 2.891 387 V HA 0.273 4.398 4.120 0.007 0.000 0.304 387 V C -2.205 173.967 176.094 0.129 0.000 1.171 387 V CA -1.994 60.391 62.300 0.141 0.000 0.943 387 V CB 3.195 35.060 31.823 0.071 0.000 1.037 387 V HN 0.218 nan 8.190 nan 0.000 0.427 388 P HA 0.093 nan 4.420 nan 0.000 0.267 388 P C 0.160 177.499 177.300 0.065 0.000 1.205 388 P CA 0.261 63.408 63.100 0.079 0.000 0.765 388 P CB 0.765 32.499 31.700 0.058 0.000 0.828 389 D N 2.379 122.818 120.400 0.064 0.000 2.315 389 D HA -0.199 4.446 4.640 0.007 0.000 0.211 389 D C 0.783 177.102 176.300 0.032 0.000 0.977 389 D CA 1.256 55.285 54.000 0.049 0.000 0.894 389 D CB -0.203 40.625 40.800 0.048 0.000 0.910 389 D HN 0.390 nan 8.370 nan 0.000 0.490 390 D N -0.621 119.797 120.400 0.031 0.000 2.388 390 D HA -0.002 4.643 4.640 0.007 0.000 0.221 390 D C 0.868 177.182 176.300 0.023 0.000 1.133 390 D CA -0.576 53.437 54.000 0.023 0.000 0.831 390 D CB -0.920 39.891 40.800 0.019 0.000 0.962 390 D HN 0.297 nan 8.370 nan 0.000 0.502 391 I N 1.069 121.656 120.570 0.029 0.000 2.813 391 I HA 0.068 4.242 4.170 0.007 0.000 0.287 391 I C 0.237 176.368 176.117 0.023 0.000 1.196 391 I CA 0.099 61.416 61.300 0.029 0.000 1.421 391 I CB 0.302 38.322 38.000 0.034 0.000 1.365 391 I HN 0.051 nan 8.210 nan 0.000 0.591 392 R N 6.968 127.481 120.500 0.022 0.000 2.664 392 R HA 0.431 4.775 4.340 0.007 0.000 0.260 392 R C -3.186 173.125 176.300 0.018 0.000 1.062 392 R CA -1.477 54.633 56.100 0.018 0.000 0.902 392 R CB 1.586 31.895 30.300 0.015 0.000 1.258 392 R HN 0.223 nan 8.270 nan 0.000 0.465 393 P HA 0.096 nan 4.420 nan 0.000 0.267 393 P C 0.658 177.968 177.300 0.017 0.000 1.201 393 P CA 1.904 65.013 63.100 0.016 0.000 0.775 393 P CB 0.522 32.229 31.700 0.011 0.000 0.854 394 G N 1.017 109.829 108.800 0.020 0.000 2.363 394 G HA2 -0.221 3.744 3.960 0.007 0.000 0.238 394 G HA3 -0.221 3.744 3.960 0.007 0.000 0.238 394 G C 0.152 175.068 174.900 0.027 0.000 1.062 394 G CA -0.019 45.094 45.100 0.021 0.000 0.629 394 G HN 0.547 nan 8.290 nan 0.000 0.514 395 D N 0.855 121.271 120.400 0.028 0.000 2.419 395 D HA 0.348 4.992 4.640 0.007 0.000 0.236 395 D C 0.915 177.242 176.300 0.046 0.000 1.165 395 D CA 0.393 54.413 54.000 0.033 0.000 0.882 395 D CB 0.575 41.395 40.800 0.033 0.000 1.201 395 D HN 0.347 nan 8.370 nan 0.000 0.443 396 L N 2.023 123.275 121.223 0.048 0.000 2.272 396 L HA 0.311 4.656 4.340 0.007 0.000 0.289 396 L C 0.241 177.160 176.870 0.081 0.000 1.032 396 L CA -0.895 53.985 54.840 0.067 0.000 0.810 396 L CB 1.290 43.383 42.059 0.055 0.000 1.205 396 L HN 0.107 nan 8.230 nan 0.000 0.422 397 V N 0.595 120.580 119.914 0.118 0.000 2.769 397 V HA 0.979 5.103 4.120 0.007 0.000 0.312 397 V C -0.070 176.153 176.094 0.215 0.000 1.058 397 V CA -0.590 61.800 62.300 0.149 0.000 0.952 397 V CB 1.678 33.583 31.823 0.136 0.000 1.019 397 V HN 0.795 nan 8.190 nan 0.000 0.445 398 A N 2.813 125.785 122.820 0.253 0.000 2.386 398 A HA 0.869 5.193 4.320 0.007 0.000 0.311 398 A C -0.775 177.046 177.584 0.396 0.000 1.068 398 A CA -0.684 51.539 52.037 0.311 0.000 0.743 398 A CB 1.890 21.097 19.000 0.346 0.000 1.258 398 A HN 1.181 nan 8.150 nan 0.000 0.429 399 V N 1.343 121.397 119.914 0.233 0.000 2.547 399 V HA 0.580 4.704 4.120 0.007 0.000 0.299 399 V C 1.079 177.109 176.094 -0.105 0.000 1.040 399 V CA 0.341 62.695 62.300 0.089 0.000 0.913 399 V CB 1.571 33.417 31.823 0.040 0.000 0.992 399 V HN 1.217 nan 8.190 nan 0.000 0.449 400 A N 3.060 125.713 122.820 -0.278 0.000 2.197 400 A HA 0.699 5.023 4.320 0.007 0.000 0.210 400 A C 1.074 178.462 177.584 -0.328 0.000 1.180 400 A CA 0.743 52.339 52.037 -0.735 0.000 0.846 400 A CB 0.314 18.415 19.000 -1.500 0.000 0.884 400 A HN 1.196 nan 8.150 nan 0.000 0.487 401 A N 0.256 123.083 122.820 0.012 0.000 3.266 401 A HA 0.493 4.818 4.320 0.007 0.000 0.310 401 A C 0.554 178.289 177.584 0.253 0.000 1.066 401 A CA 0.444 52.494 52.037 0.021 0.000 0.839 401 A CB -0.663 18.191 19.000 -0.244 0.000 1.192 401 A HN 0.400 nan 8.150 nan 0.000 0.496 402 T N -2.927 111.749 114.554 0.204 0.000 3.105 402 T HA 0.193 4.547 4.350 0.007 0.000 0.253 402 T C 1.548 176.398 174.700 0.251 0.000 1.047 402 T CA 0.868 63.141 62.100 0.288 0.000 0.944 402 T CB 0.480 69.478 68.868 0.216 0.000 1.016 402 T HN 0.597 nan 8.240 nan 0.000 0.544 403 G N 1.228 110.116 108.800 0.146 0.000 2.509 403 G HA2 0.357 4.321 3.960 0.007 0.000 0.218 403 G HA3 0.357 4.321 3.960 0.007 0.000 0.218 403 G C 0.520 175.435 174.900 0.025 0.000 1.124 403 G CA 0.276 45.403 45.100 0.045 0.000 0.776 403 G HN 0.854 nan 8.290 nan 0.000 0.547 404 A N -1.209 121.672 122.820 0.102 0.000 2.357 404 A HA 0.617 4.941 4.320 0.007 0.000 0.295 404 A C -0.047 177.617 177.584 0.133 0.000 1.121 404 A CA -0.742 51.306 52.037 0.018 0.000 0.742 404 A CB 0.693 19.717 19.000 0.039 0.000 1.181 404 A HN 0.632 nan 8.150 nan 0.000 0.454 405 Y N -0.204 120.222 120.300 0.211 0.000 4.881 405 Y HA -0.340 4.214 4.550 0.007 0.000 0.241 405 Y C 1.622 177.658 175.900 0.228 0.000 0.985 405 Y CA 0.654 58.877 58.100 0.205 0.000 1.976 405 Y CB -2.589 35.983 38.460 0.186 0.000 1.528 405 Y HN 0.662 nan 8.280 nan 0.000 0.581 406 C N -2.005 117.478 119.300 0.306 0.000 2.611 406 C HA -0.022 4.443 4.460 0.007 0.000 0.283 406 C C 2.467 177.589 174.990 0.220 0.000 1.340 406 C CA 1.022 60.228 59.018 0.312 0.000 1.716 406 C CB -1.054 26.927 27.740 0.402 0.000 2.134 406 C HN 0.657 nan 8.230 nan 0.000 0.526 407 Y N 2.607 122.862 120.300 -0.075 0.000 2.263 407 Y HA -0.143 4.411 4.550 0.007 0.000 0.292 407 Y C 2.537 178.445 175.900 0.012 0.000 1.130 407 Y CA 1.865 59.844 58.100 -0.202 0.000 1.179 407 Y CB -0.287 37.757 38.460 -0.692 0.000 0.998 407 Y HN 0.292 nan 8.280 nan 0.000 0.532 408 S N 0.342 116.170 115.700 0.212 0.000 2.419 408 S HA -0.182 4.292 4.470 0.007 0.000 0.235 408 S C 1.660 176.313 174.600 0.089 0.000 1.019 408 S CA 1.529 59.838 58.200 0.181 0.000 0.982 408 S CB -0.448 62.881 63.200 0.214 0.000 0.789 408 S HN 0.475 nan 8.310 nan 0.000 0.490 409 L N 2.081 123.367 121.223 0.104 0.000 2.607 409 L HA 0.176 4.520 4.340 0.007 0.000 0.228 409 L C 0.761 177.638 176.870 0.012 0.000 1.123 409 L CA -0.332 54.558 54.840 0.084 0.000 0.890 409 L CB -0.186 41.965 42.059 0.155 0.000 1.103 409 L HN 0.248 nan 8.230 nan 0.000 0.468 410 S N -0.469 115.193 115.700 -0.063 0.000 2.579 410 S HA 0.387 4.861 4.470 0.007 0.000 0.275 410 S C 0.315 174.875 174.600 -0.066 0.000 1.345 410 S CA -0.572 57.583 58.200 -0.074 0.000 1.031 410 S CB 1.395 64.467 63.200 -0.213 0.000 0.892 410 S HN 0.264 nan 8.310 nan 0.000 0.529 411 S N 1.421 117.112 115.700 -0.015 0.000 2.810 411 S HA 0.620 5.094 4.470 0.007 0.000 0.315 411 S C -0.453 174.181 174.600 0.057 0.000 1.138 411 S CA -1.326 56.875 58.200 0.001 0.000 0.889 411 S CB 1.065 64.254 63.200 -0.019 0.000 1.236 411 S HN 0.746 nan 8.310 nan 0.000 0.548 412 R N -0.032 120.518 120.500 0.083 0.000 3.135 412 R HA 0.272 4.616 4.340 0.007 0.000 0.343 412 R C -1.074 175.342 176.300 0.193 0.000 1.227 412 R CA -0.289 55.885 56.100 0.123 0.000 1.227 412 R CB 0.101 30.450 30.300 0.082 0.000 1.436 412 R HN 0.675 nan 8.270 nan 0.000 0.595 413 Y N 1.945 122.271 120.300 0.043 0.000 2.511 413 Y HA -0.104 4.450 4.550 0.007 0.000 0.332 413 Y C 0.296 176.297 175.900 0.168 0.000 1.177 413 Y CA 0.267 58.373 58.100 0.011 0.000 1.422 413 Y CB 0.450 38.767 38.460 -0.238 0.000 1.271 413 Y HN 0.492 nan 8.280 nan 0.000 0.550 417 G N 2.674 111.527 108.800 0.088 0.000 2.504 417 G HA2 0.556 4.520 3.960 0.007 0.000 0.288 417 G HA3 0.556 4.520 3.960 0.007 0.000 0.288 417 G C -0.216 174.747 174.900 0.106 0.000 1.182 417 G CA -0.721 44.431 45.100 0.086 0.000 0.894 417 G HN 0.698 nan 8.290 nan 0.000 0.521 418 R N 1.391 121.952 120.500 0.101 0.000 2.484 418 R HA 0.098 4.443 4.340 0.007 0.000 0.293 418 R C -2.130 174.296 176.300 0.211 0.000 1.023 418 R CA -0.896 55.283 56.100 0.132 0.000 1.037 418 R CB 0.356 30.703 30.300 0.079 0.000 0.951 418 R HN 0.306 nan 8.270 nan 0.000 0.418 419 P HA -0.136 nan 4.420 nan 0.000 0.267 419 P C -0.682 176.809 177.300 0.319 0.000 1.195 419 P CA 0.385 63.651 63.100 0.277 0.000 0.773 419 P CB 0.544 32.439 31.700 0.326 0.000 0.837 420 A N 2.127 125.070 122.820 0.205 0.000 2.366 420 A HA 0.455 4.780 4.320 0.007 0.000 0.249 420 A C -0.360 177.307 177.584 0.139 0.000 1.084 420 A CA -0.047 52.075 52.037 0.143 0.000 0.794 420 A CB 0.137 19.193 19.000 0.092 0.000 1.034 420 A HN 0.354 nan 8.150 nan 0.000 0.491 421 V N 0.898 120.819 119.914 0.011 0.000 2.735 421 V HA 0.632 4.756 4.120 0.007 0.000 0.310 421 V C -0.513 175.506 176.094 -0.126 0.000 1.061 421 V CA -0.537 61.731 62.300 -0.053 0.000 0.913 421 V CB 1.658 33.344 31.823 -0.228 0.000 1.005 421 V HN 0.716 nan 8.190 nan 0.000 0.428 422 V N 2.207 122.045 119.914 -0.126 0.000 2.841 422 V HA 0.881 5.005 4.120 0.007 0.000 0.310 422 V C -0.103 175.960 176.094 -0.052 0.000 1.090 422 V CA -0.330 61.851 62.300 -0.199 0.000 0.930 422 V CB 2.248 33.834 31.823 -0.393 0.000 1.014 422 V HN 1.133 nan 8.190 nan 0.000 0.425 423 A N 3.848 126.669 122.820 0.001 0.000 2.320 423 A HA 0.967 5.291 4.320 0.007 0.000 0.334 423 A C -0.743 176.894 177.584 0.089 0.000 1.147 423 A CA -0.470 51.636 52.037 0.115 0.000 0.820 423 A CB 1.824 20.967 19.000 0.238 0.000 1.218 423 A HN 1.721 nan 8.150 nan 0.000 0.482 424 V N 0.007 119.984 119.914 0.106 0.000 2.733 424 V HA 0.798 4.922 4.120 0.007 0.000 0.306 424 V C -1.202 174.969 176.094 0.128 0.000 1.084 424 V CA -0.481 61.881 62.300 0.103 0.000 0.905 424 V CB 1.392 33.265 31.823 0.084 0.000 1.010 424 V HN 1.268 nan 8.190 nan 0.000 0.424 425 H N 4.016 123.078 119.070 -0.013 0.000 3.149 425 H HA 0.728 5.288 4.556 0.007 0.000 0.334 425 H C 0.405 175.719 175.328 -0.023 0.000 1.000 425 H CA 0.705 56.727 56.048 -0.044 0.000 1.415 425 H CB 1.632 31.342 29.762 -0.087 0.000 1.819 425 H HN 2.038 nan 8.280 nan 0.000 0.486 426 A N 3.147 125.744 122.820 -0.371 0.000 4.414 426 A HA -0.212 4.112 4.320 0.007 0.000 0.259 426 A C 1.764 179.257 177.584 -0.152 0.000 0.774 426 A CA 2.161 53.996 52.037 -0.336 0.000 1.184 426 A CB -1.909 16.781 19.000 -0.517 0.000 1.070 426 A HN 1.943 nan 8.150 nan 0.000 0.747 427 G N -2.397 106.350 108.800 -0.089 0.000 3.942 427 G HA2 0.197 4.161 3.960 0.007 0.000 0.219 427 G HA3 0.197 4.161 3.960 0.007 0.000 0.219 427 G C -0.237 174.664 174.900 0.001 0.000 0.869 427 G CA 0.598 45.677 45.100 -0.035 0.000 0.851 427 G HN 0.773 nan 8.290 nan 0.000 0.560 428 N N 0.916 119.619 118.700 0.006 0.000 2.456 428 N HA 0.710 5.454 4.740 0.007 0.000 0.288 428 N C -0.072 175.489 175.510 0.085 0.000 1.059 428 N CA 0.598 53.677 53.050 0.049 0.000 0.946 428 N CB 1.733 40.251 38.487 0.051 0.000 1.150 428 N HN 0.525 nan 8.380 nan 0.000 0.479 429 A N 2.056 124.945 122.820 0.116 0.000 2.374 429 A HA 0.804 5.128 4.320 0.007 0.000 0.317 429 A C -0.701 176.981 177.584 0.164 0.000 1.094 429 A CA -0.679 51.445 52.037 0.145 0.000 0.765 429 A CB 0.996 20.133 19.000 0.227 0.000 1.268 429 A HN 0.799 nan 8.150 nan 0.000 0.438 430 R N 2.196 122.749 120.500 0.088 0.000 2.510 430 R HA 0.503 4.848 4.340 0.007 0.000 0.287 430 R C -1.829 174.439 176.300 -0.053 0.000 1.084 430 R CA -0.673 55.470 56.100 0.072 0.000 0.934 430 R CB 0.984 31.332 30.300 0.080 0.000 1.201 430 R HN 0.699 nan 8.270 nan 0.000 0.431 431 L N 4.899 126.086 121.223 -0.059 0.000 2.499 431 L HA 0.103 4.447 4.340 0.007 0.000 0.273 431 L C -0.133 176.705 176.870 -0.052 0.000 1.195 431 L CA 0.614 55.372 54.840 -0.136 0.000 0.882 431 L CB 1.502 43.562 42.059 0.001 0.000 1.133 431 L HN 0.739 nan 8.230 nan 0.000 0.483 432 V N 4.972 124.840 119.914 -0.076 0.000 3.048 432 V HA 0.217 4.342 4.120 0.007 0.000 0.241 432 V C -0.004 176.051 176.094 -0.066 0.000 1.129 432 V CA 0.156 62.419 62.300 -0.061 0.000 1.128 432 V CB 0.185 31.960 31.823 -0.081 0.000 0.849 432 V HN 0.561 nan 8.190 nan 0.000 0.475 433 L N 0.693 121.874 121.223 -0.069 0.000 2.491 433 L HA 0.456 4.800 4.340 0.007 0.000 0.267 433 L C 0.155 177.029 176.870 0.006 0.000 0.971 433 L CA -0.129 54.683 54.840 -0.047 0.000 0.857 433 L CB 1.625 43.606 42.059 -0.130 0.000 1.226 433 L HN 0.059 nan 8.230 nan 0.000 0.408 434 R N 1.792 122.315 120.500 0.038 0.000 2.973 434 R HA 0.116 4.460 4.340 0.007 0.000 0.277 434 R C 0.123 176.483 176.300 0.099 0.000 1.000 434 R CA 0.067 56.208 56.100 0.067 0.000 1.175 434 R CB 0.511 30.850 30.300 0.065 0.000 1.113 434 R HN 0.698 nan 8.270 nan 0.000 0.495 435 R N 0.964 121.526 120.500 0.103 0.000 2.604 435 R HA 0.200 4.544 4.340 0.007 0.000 0.287 435 R C -0.684 175.675 176.300 0.098 0.000 0.970 435 R CA -0.538 55.633 56.100 0.118 0.000 0.946 435 R CB 1.141 31.510 30.300 0.114 0.000 1.127 435 R HN 0.553 nan 8.270 nan 0.000 0.473 436 E N 0.923 121.182 120.200 0.100 0.000 2.371 436 E HA 0.176 4.530 4.350 0.007 0.000 0.257 436 E C -0.468 176.171 176.600 0.066 0.000 1.134 436 E CA -0.072 56.375 56.400 0.078 0.000 0.919 436 E CB 1.400 31.145 29.700 0.075 0.000 1.025 436 E HN 0.765 nan 8.360 nan 0.000 0.438 437 T N -3.224 111.362 114.554 0.053 0.000 2.841 437 T HA 0.195 4.549 4.350 0.007 0.000 0.296 437 T C 0.824 175.546 174.700 0.038 0.000 1.166 437 T CA -0.443 61.684 62.100 0.044 0.000 1.007 437 T CB 0.961 69.853 68.868 0.041 0.000 1.253 437 T HN 0.285 nan 8.240 nan 0.000 0.511 438 V N -0.902 119.031 119.914 0.032 0.000 2.913 438 V HA -0.004 4.120 4.120 0.007 0.000 0.260 438 V C 1.676 177.785 176.094 0.026 0.000 1.098 438 V CA 1.809 64.126 62.300 0.028 0.000 1.121 438 V CB -1.040 30.797 31.823 0.022 0.000 0.714 438 V HN 0.809 nan 8.190 nan 0.000 0.487 439 D N 1.186 121.602 120.400 0.026 0.000 2.097 439 D HA -0.157 4.487 4.640 0.007 0.000 0.195 439 D C 1.956 178.271 176.300 0.025 0.000 0.989 439 D CA 1.906 55.921 54.000 0.024 0.000 0.827 439 D CB -0.333 40.481 40.800 0.024 0.000 0.966 439 D HN 0.581 nan 8.370 nan 0.000 0.456 440 D N 0.439 120.857 120.400 0.030 0.000 2.123 440 D HA -0.146 4.498 4.640 0.007 0.000 0.196 440 D C 2.202 178.520 176.300 0.029 0.000 0.992 440 D CA 0.426 54.444 54.000 0.030 0.000 0.833 440 D CB -0.116 40.707 40.800 0.038 0.000 0.954 440 D HN 0.116 nan 8.370 nan 0.000 0.455 441 L N 0.474 121.716 121.223 0.032 0.000 2.081 441 L HA -0.151 4.193 4.340 0.007 0.000 0.212 441 L C 2.119 179.005 176.870 0.026 0.000 1.080 441 L CA 1.175 56.033 54.840 0.032 0.000 0.754 441 L CB -0.657 41.422 42.059 0.033 0.000 0.893 441 L HN 0.078 nan 8.230 nan 0.000 0.433 442 L N -1.387 119.850 121.223 0.023 0.000 2.585 442 L HA 0.116 4.461 4.340 0.007 0.000 0.226 442 L C 2.330 179.210 176.870 0.017 0.000 1.113 442 L CA 0.956 55.807 54.840 0.019 0.000 0.876 442 L CB -0.682 41.387 42.059 0.018 0.000 1.072 442 L HN 0.373 nan 8.230 nan 0.000 0.468 443 S N -1.627 114.084 115.700 0.017 0.000 2.603 443 S HA -0.020 4.454 4.470 0.007 0.000 0.229 443 S C 1.438 176.045 174.600 0.012 0.000 0.972 443 S CA 0.522 58.731 58.200 0.015 0.000 0.935 443 S CB -0.332 62.878 63.200 0.016 0.000 0.769 443 S HN 0.447 nan 8.310 nan 0.000 0.536 444 L N 0.355 121.585 121.223 0.012 0.000 2.640 444 L HA 0.363 4.708 4.340 0.007 0.000 0.230 444 L C 0.632 177.507 176.870 0.009 0.000 1.123 444 L CA -0.070 54.776 54.840 0.010 0.000 0.900 444 L CB -0.119 41.946 42.059 0.010 0.000 1.146 444 L HN 0.278 nan 8.230 nan 0.000 0.484 445 E N 0.616 120.822 120.200 0.010 0.000 2.373 445 E HA 0.293 4.647 4.350 0.007 0.000 0.263 445 E C -0.839 175.765 176.600 0.008 0.000 1.073 445 E CA -0.216 56.189 56.400 0.009 0.000 0.894 445 E CB 2.558 32.265 29.700 0.011 0.000 1.008 445 E HN -0.159 nan 8.360 nan 0.000 0.420 446 V N 3.771 123.689 119.914 0.007 0.000 2.540 446 V HA 0.228 4.352 4.120 0.007 0.000 0.302 446 V C -0.719 175.379 176.094 0.006 0.000 1.035 446 V CA -0.635 61.669 62.300 0.006 0.000 0.873 446 V CB 1.384 33.210 31.823 0.005 0.000 0.992 446 V HN 0.820 nan 8.190 nan 0.000 0.428 447 R N 0.000 120.503 120.500 0.006 0.000 2.786 447 R HA 0.000 4.344 4.340 0.007 0.000 0.208 447 R CA 0.000 56.103 56.100 0.005 0.000 0.921 447 R CB 0.000 30.303 30.300 0.005 0.000 0.687 447 R HN 0.000 nan 8.270 nan 0.000 0.535